UCSF

ZINC00074714

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.48 -0.19 -12.45 1 6 0 91 346.286 5
Hi High (pH 8-9.5) 3.48 0.35 -39.95 0 6 -1 94 345.278 5

Activity (Go SEA)

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