UCSF

ZINC34665854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 4.53 8.64 -39.03 2 2 1 26 280.75 4
Hi High (pH 8-9.5) 4.53 7.56 -4.61 1 2 0 21 279.742 4

Activity (Go SEA)

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