UCSF

ZINC20016965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 19 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) 1.74 7.52 -60.35 0 5 -1 71 252.253 3
Mid Mid (pH 6-8) 1.74 7.96 -71.29 1 5 0 72 253.261 3

Activity (Go SEA)

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