UCSF

ZINC37049127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.79 0.71 -91.28 5 6 2 74 288.436 8
Mid Mid (pH 6-8) -0.79 0.47 -105.1 5 6 2 74 288.436 8
Mid Mid (pH 6-8) -0.79 -1.5 -46.63 4 6 1 72 287.428 8

Activity (Go SEA)

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