UCSF

ZINC19519377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 No

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) 1.01 3.45 -48.9 3 2 1 31 215.386 2
Hi High (pH 8-9.5) 1.01 2.79 -1.87 2 2 0 29 214.378 2
Mid Mid (pH 6-8) 1.01 5.26 -128.68 4 2 2 32 216.394 2
Mid Mid (pH 6-8) 1.01 4.95 -32.26 3 2 1 30 215.386 2

Activity (Go SEA)

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