UCSF

ZINC36226346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 1.64 3.41 -24.9 4 3 1 52 166.248 3
Mid Mid (pH 6-8) 1.64 3.04 -5.18 3 3 0 51 165.24 3

Activity (Go SEA)

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