UCSF

ZINC34846702

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 3.54 8.83 -31.4 4 11 1 142 438.516 7
Hi High (pH 8-9.5) 3.54 6.36 -8.62 3 11 0 140 437.508 7

Activity (Go SEA)

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