UCSF

ZINC42407800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 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) 1.20 0.62 -67.93 2 4 0 65 199.279 5
Mid Mid (pH 6-8) 0.74 2.12 -54.93 3 4 1 62 200.287 5
Mid Mid (pH 6-8) 0.74 2.69 -50.69 3 4 1 62 200.287 5

Activity (Go SEA)

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