UCSF

ZINC37022335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 2.13 3.63 -13.38 1 5 0 72 254.702 2
Hi High (pH 8-9.5) 2.58 1.94 -57.42 0 5 -1 75 253.694 2
Mid Mid (pH 6-8) 2.12 3.31 -29.33 1 5 0 72 254.702 2

Activity (Go SEA)

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