UCSF

ZINC34844602

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 14 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) 1.70 5.84 -46.69 2 2 1 34 194.229 5
Mid Mid (pH 6-8) 1.70 4.47 -6.58 1 2 0 29 193.221 5

Activity (Go SEA)

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