UCSF

ZINC37094834

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) 3.14 7.75 -130.01 4 2 2 32 258.409 6
Mid Mid (pH 6-8) 3.14 5.87 -46.18 3 2 1 31 257.401 6
Mid Mid (pH 6-8) 3.14 7.38 -31.97 3 2 1 30 257.401 6

Activity (Go SEA)

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