UCSF

ZINC34651751

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.02 9.14 -40.15 1 3 1 37 245.346 4
Hi High (pH 8-9.5) 3.02 7 -5.41 0 3 0 36 244.338 4

Activity (Go SEA)

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