UCSF

ZINC36720805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 1.22 8.38 -69.52 0 4 -1 62 230.243 2
Mid Mid (pH 6-8) 1.22 7.55 -27.33 1 4 0 65 231.251 2

Activity (Go SEA)

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