UCSF

ZINC39134810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) 1.13 4.04 -37.71 1 2 1 17 157.262 2
Mid Mid (pH 6-8) 1.13 1.76 -4.51 0 2 0 16 156.254 2

Activity (Go SEA)

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