UCSF

ZINC55615119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 25 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) 3.17 4.21 -15.87 3 5 0 89 358.394 4
Mid Mid (pH 6-8) 3.17 4.29 -54.25 2 5 -1 91 357.386 4
Mid Mid (pH 6-8) 3.37 2.1 -11.18 3 5 0 90 358.394 4

Activity (Go SEA)

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