UCSF

ZINC37039005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.47 4.15 -117.78 4 5 2 66 267.373 5
Mid Mid (pH 6-8) 0.47 2.52 -51.48 3 5 1 64 266.365 5

Activity (Go SEA)

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