UCSF

ZINC44625058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -1.49 2.98 -63.82 4 6 0 108 280.324 6
Mid Mid (pH 6-8) -1.49 2.66 -50.29 3 6 -1 107 279.316 6

Activity (Go SEA)

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