UCSF

ZINC41680491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 0.75 5.76 -79.15 3 3 2 24 215.385 5
Mid Mid (pH 6-8) 0.75 5.9 -89.08 3 3 2 21 215.385 5
Lo Low (pH 4.5-6) 0.75 7.29 -174.04 4 3 3 25 216.393 5

Activity (Go SEA)

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