UCSF

ZINC00057028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 21 No

Other Names:

MFCD00144132

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.89 4.13 -28.44 1 7 0 101 291.307 5
Ref Reference (pH 7) 0.89 4.31 -17.38 1 7 0 101 291.307 5
Mid Mid (pH 6-8) 0.89 4.56 -59.96 2 7 1 105 292.315 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )