UCSF

ZINC37027031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.44 1.22 -54.67 5 6 1 103 334.849 6
Hi High (pH 8-9.5) 1.44 1.1 -42.99 3 6 -1 103 332.833 6
Mid Mid (pH 6-8) 1.44 1.38 -66.04 4 6 0 105 333.841 6

Activity (Go SEA)

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