UCSF

ZINC27315942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 21 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) 2.27 0.7 -9.08 2 5 0 67 305.403 6
Mid Mid (pH 6-8) 2.27 2.34 -35.18 3 5 1 68 306.411 6

Activity (Go SEA)

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