UCSF

ZINC00755674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 4.00 -2.1 -24.5 2 6 0 83 418.456 4
Lo Low (pH 4.5-6) 4.00 -1.92 -83.52 4 6 2 86 420.472 4
Lo Low (pH 4.5-6) 4.00 -2.01 -50.52 3 6 1 85 419.464 4

Activity (Go SEA)

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