UCSF

ZINC33816988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 18 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) 1.64 4.92 -40.17 2 4 0 66 246.241 3
Mid Mid (pH 6-8) 1.64 3.56 -6.52 2 4 0 62 246.241 3
Mid Mid (pH 6-8) 1.64 4.43 -47.89 1 4 -1 65 245.233 3
Lo Low (pH 4.5-6) 1.64 4 -41.71 3 4 1 63 247.249 3

Activity (Go SEA)

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