UCSF

ZINC36853567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 No

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) 0.30 2.95 -35.82 3 5 1 63 256.37 8
Mid Mid (pH 6-8) 0.48 1.44 -84.02 3 5 1 74 256.37 8

Activity (Go SEA)

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