UCSF

ZINC31945994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.32 6.75 -58.24 1 3 1 41 190.27 5
Mid Mid (pH 6-8) 0.32 4.35 -8.92 0 3 0 40 189.262 5

Activity (Go SEA)

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