UCSF

ZINC20413515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) 0.28 1.2 -60.44 2 5 -1 86 223.252 2
Mid Mid (pH 6-8) 0.28 0.31 -16.17 3 5 0 84 224.26 2

Activity (Go SEA)

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