UCSF

ZINC06690349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 20 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) 1.19 6.03 -64.2 1 6 -1 87 274.3 5
Mid Mid (pH 6-8) 1.19 6.33 -61.82 2 6 0 88 275.308 5

Activity (Go SEA)

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