UCSF

ZINC34660601

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 2.36 7.03 -51.84 2 5 1 72 259.232 6
Hi High (pH 8-9.5) 2.36 5.73 -9.24 1 5 0 67 258.224 6

Activity (Go SEA)

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