UCSF

ZINC01006928

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 21 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) 3.21 7.62 -55.94 0 5 -1 67 281.291 4
Lo Low (pH 4.5-6) 3.21 6.84 -11.95 1 5 0 64 282.299 4

Activity (Go SEA)

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