UCSF

ZINC37988431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.98 6.29 -40.44 2 4 1 48 293.412 7
Mid Mid (pH 6-8) 1.98 4.93 -8.49 1 4 0 43 292.404 7

Activity (Go SEA)

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