UCSF

ZINC36747260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 12 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) -1.46 -2.69 -42.59 5 5 1 89 174.224 5
Hi High (pH 8-9.5) -1.46 -3.95 -11.35 4 5 0 84 173.216 5

Activity (Go SEA)

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