UCSF

ZINC37017715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.25 0.8 -43.18 5 5 1 86 244.359 7
Mid Mid (pH 6-8) 0.25 0.5 -6.95 4 5 0 84 243.351 7

Activity (Go SEA)

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