UCSF

ZINC19835340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 4.04 9.23 -44.98 1 5 1 47 368.379 5
Mid Mid (pH 6-8) 4.04 6.76 -5.93 0 5 0 46 367.371 5

Activity (Go SEA)

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