UCSF

ZINC20406477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 5.13 12.15 -36.52 1 3 1 17 373.948 8
Hi High (pH 8-9.5) 5.13 9.84 -4.25 0 3 0 16 372.94 8
Mid Mid (pH 6-8) 5.13 12.15 -42.49 1 3 1 17 373.948 8

Activity (Go SEA)

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