UCSF

ZINC44889308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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 6.36 -44.71 2 6 1 59 347.464 7
Mid Mid (pH 6-8) 2.14 6.27 -46.15 2 6 1 59 347.464 7
Mid Mid (pH 6-8) 2.14 4.09 -15.45 1 6 0 58 346.456 7
Mid Mid (pH 6-8) 1.96 5.65 -37.42 1 6 0 65 346.456 7

Activity (Go SEA)

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