UCSF

ZINC06188069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 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) 0.04 4.56 -12.32 2 9 0 111 267.245 4
Mid Mid (pH 6-8) 0.04 5.04 -42.55 3 9 1 112 268.253 4

Activity (Go SEA)

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