UCSF

ZINC01483333

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 27 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) 5.58 1.95 -14.23 0 4 0 37 383.923 7
Mid Mid (pH 6-8) 1.84 2.17 -29.17 1 4 1 40 384.931 7

Activity (Go SEA)

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