UCSF

ZINC34595058

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 No

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) 0.19 7.7 -40.41 1 5 1 51 221.284 3
Hi High (pH 8-9.5) 0.19 5.56 -10.59 0 5 0 49 220.276 3

Activity (Go SEA)

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