UCSF

ZINC34320389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 18 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) -0.76 5.71 -38.65 3 5 0 90 246.266 3
Hi High (pH 8-9.5) -0.76 5.33 -46.3 2 5 -1 88 245.258 3

Activity (Go SEA)

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