UCSF

ZINC28767548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 28 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) -1.00 5.74 -96.65 3 7 0 102 393.39 4
Mid Mid (pH 6-8) -3.74 4.78 -71.22 4 7 1 105 394.398 3

Activity (Go SEA)

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