UCSF

ZINC34427701

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 12 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) 1.49 4.95 -32.63 1 2 1 8 191.726 4
Hi High (pH 8-9.5) 1.49 2.67 -2.22 0 2 0 6 190.718 4
Mid Mid (pH 6-8) 1.49 4.95 -35.84 1 2 1 8 191.726 4

Activity (Go SEA)

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