UCSF

ZINC00945858

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 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) 3.12 -1.97 -17.39 2 8 0 97 406.442 6
Mid Mid (pH 6-8) 3.12 -0.88 -14.1 2 8 0 97 406.442 6

Activity (Go SEA)

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