UCSF

ZINC34676550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 19 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) 1.03 6.45 -48.02 2 6 1 58 264.353 2
Hi High (pH 8-9.5) 1.03 5.06 -7 1 6 0 54 263.345 2
Mid Mid (pH 6-8) 1.03 6.63 -101.19 3 6 2 59 265.361 2
Mid Mid (pH 6-8) 1.03 5.23 -26.55 2 6 1 55 264.353 2

Activity (Go SEA)

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