UCSF

ZINC23375026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 0.94 1.6 -48.75 2 9 1 95 379.437 8
Mid Mid (pH 6-8) 0.94 1.66 -44.26 2 9 1 95 379.437 8
Mid Mid (pH 6-8) 0.94 -0.66 -13.17 1 9 0 93 378.429 8

Activity (Go SEA)

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