UCSF

ZINC35783477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 0.41 -0.47 -44.32 3 4 1 43 254.398 2
Mid Mid (pH 6-8) 0.41 1.08 -37.04 3 4 1 43 254.398 2

Activity (Go SEA)

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