UCSF

ZINC06557693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 22 Yes

Other Names:

MFCD03230553

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) 4.27 10.33 -50.69 0 3 -1 53 289.31 1
Mid Mid (pH 6-8) 4.27 9.93 -15.03 1 3 0 50 290.318 1

Activity (Go SEA)

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