UCSF

ZINC19839307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 2.30 3.98 -46.18 3 4 1 54 271.768 6
Hi High (pH 8-9.5) 2.30 2.32 -42.43 1 4 -1 55 269.752 6
Mid Mid (pH 6-8) 2.30 4.64 -66.07 2 4 0 57 270.76 6

Activity (Go SEA)

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