UCSF

ZINC03584720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 5.18 9.5 -6.05 0 4 0 52 313.445 7
Lo Low (pH 4.5-6) 5.18 9.96 -38.39 1 4 1 53 314.453 7

Activity (Go SEA)

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