UCSF

ZINC13652418

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 18 No

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) -0.12 6.5 -13.95 0 7 0 79 250.258 3
Mid Mid (pH 6-8) -0.12 6.99 -50.73 1 7 1 80 251.266 3

Activity (Go SEA)

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