UCSF

ZINC34824455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 18 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) 0.00 1.42 -43.84 4 6 1 81 252.342 4
Hi High (pH 8-9.5) 0.00 0.17 -14.77 3 6 0 76 251.334 4

Activity (Go SEA)

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