UCSF

ZINC38001986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) 2.73 4.12 -37.92 0 3 -1 49 290.158 5
Mid Mid (pH 6-8) 1.99 6.9 -12.39 0 3 0 43 291.166 6

Activity (Go SEA)

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