UCSF

ZINC37851692

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.84 5.22 -102.36 4 4 2 51 262.438 13
Mid Mid (pH 6-8) 1.84 2.75 -41.43 3 4 1 49 261.43 13

Activity (Go SEA)

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