UCSF

ZINC19868127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 2.30 8.28 -42.64 1 4 1 28 308.49 4
Hi High (pH 8-9.5) 2.30 5.8 -7.31 0 4 0 27 307.482 4
Mid Mid (pH 6-8) 2.30 8.08 -43.59 1 4 1 28 308.49 4

Activity (Go SEA)

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