UCSF

ZINC24901680

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) 3.00 7.27 -12.3 2 6 0 80 314.732 3
Mid Mid (pH 6-8) 3.00 8.12 -48.74 1 6 -1 83 313.724 3
Mid Mid (pH 6-8) 3.00 7.75 -40.23 3 6 1 81 315.74 3

Activity (Go SEA)

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