UCSF

ZINC34892085

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 22 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) 2.65 5.14 -39.69 3 4 1 54 308.442 6
Hi High (pH 8-9.5) 2.65 2.82 -5.44 2 4 0 53 307.434 6

Activity (Go SEA)

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