UCSF

ZINC39333994

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 2.63 4.72 -12.88 2 6 0 65 381.476 6
Mid Mid (pH 6-8) 2.63 6.93 -52.2 3 6 1 66 382.484 6

Activity (Go SEA)

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