UCSF

ZINC43395828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.31 3.61 -96.98 4 4 2 54 211.309 5
Mid Mid (pH 6-8) 0.31 3.17 -47.21 3 4 1 53 210.301 5

Activity (Go SEA)

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