UCSF

ZINC36878256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.17 7.35 -51.89 4 6 1 102 289.359 8
Mid Mid (pH 6-8) 2.17 7.8 -96.35 5 6 2 103 290.367 8

Activity (Go SEA)

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