UCSF

ZINC00200726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.30 -0.8 -8.94 1 4 0 46 245.326 4
Mid Mid (pH 6-8) -1.11 -0.57 -30.16 2 4 1 48 246.334 4

Activity (Go SEA)

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