UCSF

ZINC59718803

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 16 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) 2.09 6.6 -34.11 3 2 1 30 217.336 3
Mid Mid (pH 6-8) 2.09 4.5 -42.63 3 2 1 31 217.336 3

Activity (Go SEA)

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