UCSF

ZINC20996401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 25 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) 2.83 8.14 -39.81 2 4 1 37 364.579 5
Mid Mid (pH 6-8) 2.83 10.65 -101.47 3 4 2 38 365.587 5
Lo Low (pH 4.5-6) 2.83 8.15 -37.12 2 4 1 37 364.579 5

Activity (Go SEA)

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