UCSF

ZINC46009299

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.64 8.53 -52.8 2 8 -1 120 458.903 5
Mid Mid (pH 6-8) 4.09 5.85 -116.25 1 8 -2 123 457.895 5
Lo Low (pH 4.5-6) 3.64 7.77 -16.1 3 8 0 117 459.911 5

Activity (Go SEA)

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