UCSF

ZINC01513064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 26 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) 4.95 -0.86 -13.86 1 4 0 54 359.454 4
Lo Low (pH 4.5-6) 5.88 -0.73 -42.44 2 4 1 59 360.462 3

Activity (Go SEA)

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