UCSF

ZINC00581318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 No

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) 3.69 6.37 -7.33 0 2 0 22 229.254 3
Ref Reference (pH 7) 3.69 7.14 -6.18 0 2 0 22 229.254 3
Lo Low (pH 4.5-6) 3.69 6.8 -40.15 1 2 1 23 230.262 3
Lo Low (pH 4.5-6) 3.69 7.49 -37.11 1 2 1 23 230.262 3

Activity (Go SEA)

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