UCSF

ZINC60229632

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 19 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) 0.79 5.1 -58.01 1 5 -1 82 279.341 5
Lo Low (pH 4.5-6) 0.79 4.04 -14.54 2 5 0 79 280.349 5

Activity (Go SEA)

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