UCSF

ZINC24901675

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) 3.13 7.38 -12.15 2 6 0 80 359.183 3
Mid Mid (pH 6-8) 3.13 8.23 -48.53 1 6 -1 83 358.175 3
Mid Mid (pH 6-8) 3.13 7.86 -40.09 3 6 1 81 360.191 3

Activity (Go SEA)

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