UCSF

ZINC36876287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.07 4.1 -50.05 4 3 1 56 220.271 3
Mid Mid (pH 6-8) 1.07 4.44 -111.25 5 3 2 58 221.279 3
Lo Low (pH 4.5-6) 1.07 4.44 -111.24 5 3 2 58 221.279 3

Activity (Go SEA)

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