UCSF

ZINC34668499

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.74 8.76 -10.19 1 5 0 45 381.52 7
Mid Mid (pH 6-8) 3.74 10.99 -45.92 2 5 1 46 382.528 7

Activity (Go SEA)

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