UCSF

ZINC29502331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 0.84 4.18 -45.41 3 7 1 96 303.342 4
Hi High (pH 8-9.5) 0.84 1.81 -13.38 2 7 0 94 302.334 4

Activity (Go SEA)

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