UCSF

ZINC10013029

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 30 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) 5.69 -0.11 -8.53 3 4 0 68 427.451 4
Lo Low (pH 4.5-6) 5.69 0 -34.77 4 4 1 69 428.459 4

Activity (Go SEA)

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