UCSF

ZINC34635271

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2009 26 No

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) -2.51 -2.62 -63.9 7 10 1 164 375.377 9
Hi High (pH 8-9.5) -2.05 -5.36 -97.21 6 10 0 167 374.369 9
Mid Mid (pH 6-8) -2.51 -2.28 -128.91 8 10 2 166 376.385 9

Activity (Go SEA)

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