UCSF

ZINC34991109

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.47 8.19 -48.26 2 3 1 34 214.292 5
Hi High (pH 8-9.5) 1.47 6.82 -6.17 1 3 0 30 213.284 5
Mid Mid (pH 6-8) 1.47 8.7 -85.66 3 3 2 36 215.3 5

Activity (Go SEA)

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