UCSF

ZINC21799843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.81 6.34 -39.86 2 3 1 29 301.401 8
Mid Mid (pH 6-8) 3.81 8.88 -34.89 2 3 1 26 301.401 8

Activity (Go SEA)

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