UCSF

ZINC09335492

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 29 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) 3.12 4.89 -49.7 1 6 -1 87 427.424 7
Mid Mid (pH 6-8) 3.12 4.76 -15.66 2 6 0 85 428.432 7

Activity (Go SEA)

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