UCSF

ZINC31866354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.39 6.09 -17.39 1 6 0 61 333.461 5
Mid Mid (pH 6-8) 1.39 8.35 -56.14 2 6 1 63 334.469 5

Activity (Go SEA)

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