UCSF

ZINC00319872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 4.86 0.96 -8.53 1 3 0 29 323.415 3
Mid Mid (pH 6-8) 4.86 1.14 -26.91 2 3 1 30 324.423 3

Activity (Go SEA)

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