UCSF

ZINC34963013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) -2.06 -0.62 -44.83 5 5 1 89 223.252 3
Hi High (pH 8-9.5) -2.06 -0.95 -10.33 4 5 0 88 222.244 3

Activity (Go SEA)

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