UCSF

ZINC36749066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.14 1.24 -30.03 4 6 1 83 199.234 4
Mid Mid (pH 6-8) -0.14 1.12 -9 3 6 0 82 198.226 4

Activity (Go SEA)

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