UCSF

ZINC32506157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 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) 3.82 7.44 -16.68 0 5 0 67 394.562 4
Lo Low (pH 4.5-6) 3.82 7.74 -39.95 1 5 1 68 395.57 4

Activity (Go SEA)

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