UCSF

ZINC34752876

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 22 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 -0.93 -16.58 6 7 0 127 320.374 4
Hi High (pH 8-9.5) 0.00 -0.89 -56.4 5 7 -1 129 319.366 4

Activity (Go SEA)

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