UCSF

ZINC50254689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 21 Yes

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) -0.62 2.13 -63.56 0 9 -1 110 312.331 6
Mid Mid (pH 6-8) -0.62 2.59 -47.59 1 9 0 111 313.339 6
Lo Low (pH 4.5-6) -0.62 2.09 -22.38 1 9 0 108 313.339 6

Activity (Go SEA)

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