UCSF

ZINC24839086

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 25 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) 0.82 2.74 -18.8 2 7 0 96 359.407 4
Mid Mid (pH 6-8) 0.82 2.8 -42.28 1 7 -1 98 358.399 4

Activity (Go SEA)

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