UCSF

ZINC34230592

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 25 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) 1.55 6.13 -13.6 4 7 0 112 399.252 3
Hi High (pH 8-9.5) 1.55 6.48 -44.25 3 7 -1 110 398.244 3
Hi High (pH 8-9.5) 1.55 6.17 -40.88 3 7 -1 110 398.244 3

Activity (Go SEA)

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