UCSF

ZINC02393471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 27 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) 3.23 10.89 -12.05 3 7 0 87 365.437 5
Lo Low (pH 4.5-6) 3.23 11.39 -34.57 4 7 1 88 366.445 5

Activity (Go SEA)

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