UCSF

ZINC09281512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 22 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) 2.94 4.26 -14.26 1 6 0 81 299.33 3
Mid Mid (pH 6-8) 3.38 5.76 -94.96 3 6 2 84 301.346 2

Activity (Go SEA)

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