UCSF

ZINC37816777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.63 4.3 -46.71 2 4 1 40 252.382 3
Mid Mid (pH 6-8) 0.63 6.52 -96.75 3 4 2 41 253.39 3

Activity (Go SEA)

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