UCSF

ZINC37869576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 1.41 1.34 -44.6 4 5 1 78 302.148 4
Mid Mid (pH 6-8) 1.41 0.23 -9.29 3 5 0 74 301.14 4

Activity (Go SEA)

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