UCSF

ZINC43984632

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.25 5.76 -36.91 2 3 1 29 267.437 2
Mid Mid (pH 6-8) 3.25 7.27 -114.98 3 3 2 30 268.445 2

Activity (Go SEA)

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