UCSF

ZINC34597194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 4.40 8.71 -2.47 0 1 0 3 203.329 2
Lo Low (pH 4.5-6) 4.40 9.47 -15.53 1 1 0 4 204.337 2

Activity (Go SEA)

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