UCSF

ZINC43910665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.71 9.77 -107.8 3 2 2 21 268.42 7
Mid Mid (pH 6-8) 3.71 8.52 -31.51 2 2 1 16 267.412 7

Activity (Go SEA)

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