UCSF

ZINC08710411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 25 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) 4.05 -3.14 -12.68 1 4 0 58 365.483 3
Lo Low (pH 4.5-6) 4.05 -3 -41.59 2 4 1 59 366.491 3

Activity (Go SEA)

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