UCSF

ZINC21967378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 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) 1.05 1.22 -43.01 3 3 1 40 195.286 5
Hi High (pH 8-9.5) 1.05 2.01 -65.16 2 3 0 43 194.278 5
Mid Mid (pH 6-8) 1.05 2.35 -38.81 3 3 1 37 195.286 5

Activity (Go SEA)

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