UCSF

ZINC37996317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 3.53 9.25 -51.13 2 2 1 40 320.185 4
Mid Mid (pH 6-8) 3.53 7.84 -6.93 1 2 0 36 319.177 4

Activity (Go SEA)

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