UCSF

ZINC06311693

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 22 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) 1.45 7.27 -48.24 2 5 1 54 304.414 4
Mid Mid (pH 6-8) 1.45 5.06 -17.38 1 5 0 53 303.406 4

Activity (Go SEA)

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