UCSF

ZINC02132525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 23 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) 7.78 1.78 -6.79 0 1 0 12 305.465 7
Lo Low (pH 4.5-6) 7.78 1.83 -26.68 1 1 1 14 306.473 7

Activity (Go SEA)

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