UCSF

ZINC33707580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 3.90 8.61 -43.1 0 6 -1 76 507.329 4
Lo Low (pH 4.5-6) 3.44 10.59 -11.54 1 6 0 73 508.337 4

Activity (Go SEA)

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