UCSF

ZINC23247817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 21 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) 3.09 7 -37.36 1 4 1 26 289.399 4
Mid Mid (pH 6-8) 3.09 6.9 -41.06 1 4 1 26 289.399 4
Mid Mid (pH 6-8) 3.09 4.73 -5.18 0 4 0 25 288.391 4

Activity (Go SEA)

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