UCSF

ZINC44687429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 2.00 7.28 -34.74 2 3 1 30 267.418 6
Lo Low (pH 4.5-6) 2.00 8.48 -111.95 3 3 2 34 268.426 6
Lo Low (pH 4.5-6) 2.00 6.07 -41.79 2 3 1 33 267.418 6

Activity (Go SEA)

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