UCSF

ZINC43968793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.89 4.31 -37.13 2 5 1 48 301.451 8
Hi High (pH 8-9.5) 1.89 4.86 -30.11 2 5 1 44 301.451 8
Mid Mid (pH 6-8) 1.89 3.19 -3.2 1 5 0 43 300.443 8

Activity (Go SEA)

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