UCSF

ZINC00285740

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) 1.81 5.45 -9.81 1 6 0 81 253.283 6
Mid Mid (pH 6-8) 1.81 5.25 -44.09 0 6 -1 79 252.275 6

Activity (Go SEA)

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