UCSF

ZINC07600312

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 31 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) 3.00 9.98 -35.94 3 7 1 75 423.537 8
Mid Mid (pH 6-8) 3.00 7.84 -11.7 2 7 0 74 422.529 8

Activity (Go SEA)

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