UCSF

ZINC00200813

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) 1.82 5.79 -9.1 1 4 0 47 245.326 3
Mid Mid (pH 6-8) 1.82 6.35 -28.91 2 4 1 48 246.334 3

Activity (Go SEA)

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