UCSF

ZINC00701434

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 4.41 11.31 -39.98 2 5 1 50 502.079 10
Lo Low (pH 4.5-6) 4.41 13.45 -105.1 3 5 2 51 503.087 10

Activity (Go SEA)

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