UCSF

ZINC01439735

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 29 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) 1.12 8.48 -20.84 2 9 0 120 389.371 4
Lo Low (pH 4.5-6) 1.12 8.92 -58.43 3 9 1 121 390.379 4

Activity (Go SEA)

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