UCSF

ZINC00115904

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 3.30 7.96 -6.69 0 2 0 17 251.127 0
Mid Mid (pH 6-8) 3.30 8.41 -24.51 1 2 1 19 252.135 0

Activity (Go SEA)

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