UCSF

ZINC34541517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.69 7.37 -10.86 2 4 0 62 293.322 4
Hi High (pH 8-9.5) 3.69 8.16 -53.31 1 4 -1 65 292.314 4

Activity (Go SEA)

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