UCSF

ZINC59940699

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 22 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) 3.19 7.81 -5.62 2 4 0 62 299.37 8
Lo Low (pH 4.5-6) 3.19 8.13 -40.29 3 4 1 63 300.378 8

Activity (Go SEA)

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