UCSF

ZINC31993089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) -0.75 -0.03 -112.28 5 3 2 52 160.261 3
Mid Mid (pH 6-8) -0.75 -0.35 -35.55 4 3 1 51 159.253 3
Mid Mid (pH 6-8) -0.75 -2.3 -46.81 4 3 1 51 159.253 3

Activity (Go SEA)

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