UCSF

ZINC34671574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 37 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) 5.02 14.07 -13.95 1 5 0 54 491.635 9
Lo Low (pH 4.5-6) 5.02 15.89 -44.62 2 5 1 56 492.643 9
Lo Low (pH 4.5-6) 5.02 16.35 -86.42 3 5 2 57 493.651 9

Activity (Go SEA)

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