UCSF

ZINC45650580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.89 5.44 -36.18 2 3 1 29 263.405 5
Hi High (pH 8-9.5) 2.89 4.55 -3.09 1 3 0 24 262.397 5
Mid Mid (pH 6-8) 2.89 6.9 -32.77 2 3 1 26 263.405 5

Activity (Go SEA)

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