UCSF

ZINC12557568

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 28 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) 3.99 6.76 -9.97 1 5 0 54 415.584 5
Mid Mid (pH 6-8) 3.99 7.15 -34.33 2 5 1 56 416.592 5
Lo Low (pH 4.5-6) 3.99 9.05 -80.38 3 5 2 57 417.6 5

Activity (Go SEA)

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