UCSF

ZINC45692954

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 3.31 10.47 -83.6 3 3 2 21 283.504 8
Hi High (pH 8-9.5) 3.31 8.1 -107.9 3 3 2 24 283.504 8
Hi High (pH 8-9.5) 3.31 7.38 -31.22 2 3 1 20 282.496 8
Mid Mid (pH 6-8) 3.31 6.26 -32.31 2 3 1 23 282.496 8

Activity (Go SEA)

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