UCSF

ZINC44685715

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 0.49 6.48 -34.9 2 4 1 34 261.393 3
Hi High (pH 8-9.5) 0.49 4.11 -6.27 1 4 0 33 260.385 3
Lo Low (pH 4.5-6) 0.49 7.49 -112.67 3 4 2 39 262.401 3

Activity (Go SEA)

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