UCSF

ZINC44605692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.14 7.55 -40.17 1 4 1 34 241.355 4
Mid Mid (pH 6-8) 2.14 5.35 -4.91 0 4 0 33 240.347 4

Activity (Go SEA)

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