UCSF

ZINC37094643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.17 8.24 -128.52 4 2 2 32 258.409 6
Mid Mid (pH 6-8) 3.17 5.97 -45.84 3 2 1 31 257.401 6
Mid Mid (pH 6-8) 3.17 7.88 -31.49 3 2 1 30 257.401 6

Activity (Go SEA)

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