UCSF

ZINC19885296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.01 6.65 -51.11 2 5 1 61 246.29 6
Mid Mid (pH 6-8) 1.01 5.25 -11.99 1 5 0 56 245.282 6

Activity (Go SEA)

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