UCSF

ZINC60240741

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) 4.15 7.65 -30.76 2 2 1 25 248.39 4
Mid Mid (pH 6-8) 4.15 7.51 -3.62 1 2 0 23 247.382 4

Activity (Go SEA)

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