UCSF

ZINC37388608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 0.13 2.62 -44.9 2 5 1 55 231.316 8
Mid Mid (pH 6-8) 0.13 1.28 -6.65 1 5 0 51 230.308 8
Mid Mid (pH 6-8) 0.13 3.55 -39.51 2 5 1 52 231.316 8
Mid Mid (pH 6-8) 0.13 4.89 -109.73 3 5 2 57 232.324 8

Activity (Go SEA)

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