UCSF

ZINC43425370

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.12 4.14 -5.93 0 3 0 36 220.316 1
Mid Mid (pH 6-8) 2.12 6.32 -41.68 1 3 1 37 221.324 1

Activity (Go SEA)

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