UCSF

ZINC23379336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 15 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) -0.20 1.1 -8.89 0 5 0 49 206.249 1
Mid Mid (pH 6-8) -0.20 3.48 -42.81 1 5 1 51 207.257 1

Activity (Go SEA)

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