UCSF

ZINC33828056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 2.13 7.58 -40.01 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.13 7.12 -39.53 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.13 5.11 -6.31 0 3 0 24 246.354 4

Activity (Go SEA)

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