UCSF

ZINC45693381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 4.39 9.9 -31.57 2 2 1 16 323.551 9
Hi High (pH 8-9.5) 4.39 8.15 -1.71 1 2 0 15 322.543 9
Lo Low (pH 4.5-6) 4.39 11 -104.81 3 2 2 21 324.559 9

Activity (Go SEA)

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