UCSF

ZINC42108155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 1.58 4.25 -10.97 0 5 0 52 288.347 3
Mid Mid (pH 6-8) 1.58 6.51 -47.12 1 5 1 53 289.355 3

Activity (Go SEA)

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