UCSF

ZINC35659532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.27 1.87 -46.12 3 3 1 34 266.331 5
Mid Mid (pH 6-8) 1.27 3.73 -124.04 4 3 2 35 267.339 5
Mid Mid (pH 6-8) 1.27 4.01 -102.78 4 3 2 35 267.339 5

Activity (Go SEA)

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