UCSF

ZINC36804912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 3.46 8.31 -40.17 2 3 1 34 321.178 5
Mid Mid (pH 6-8) 3.46 7.7 -34.95 2 3 1 31 321.178 5
Mid Mid (pH 6-8) 3.46 7.35 -6.12 1 3 0 30 320.17 5
Lo Low (pH 4.5-6) 3.46 8.69 -117.5 3 3 2 36 322.186 5

Activity (Go SEA)

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