UCSF

ZINC60237015

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.59 2.7 -33.15 3 4 1 48 259.414 6
Mid Mid (pH 6-8) 1.59 1 -3.1 2 4 0 47 258.406 6

Activity (Go SEA)

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