UCSF

ZINC45703816

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 1.43 2.9 -29.68 2 3 1 28 203.35 7
Mid Mid (pH 6-8) 1.43 2.93 -34.86 2 3 1 28 203.35 7
Lo Low (pH 4.5-6) 1.43 4.98 -101.51 3 3 2 29 204.358 7

Activity (Go SEA)

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