UCSF

ZINC34681499

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 4.57 10.69 -10.59 1 5 0 48 420.944 5
Mid Mid (pH 6-8) 4.57 12.92 -40.97 2 5 1 50 421.952 5
Lo Low (pH 4.5-6) 4.57 13.27 -100.39 3 5 2 51 422.96 5

Activity (Go SEA)

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