UCSF

ZINC37002039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 1.19 4.98 -77.86 3 5 0 86 266.322 3
Mid Mid (pH 6-8) 1.19 3.78 -52.5 2 5 -1 81 265.314 3

Activity (Go SEA)

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