UCSF

ZINC41675451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.00 6.49 -40.97 2 4 1 42 209.317 6
Mid Mid (pH 6-8) 1.00 6.92 -77.26 3 4 2 43 210.325 6

Activity (Go SEA)

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