UCSF

ZINC01051407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 27 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) 3.09 -3.52 -16.05 5 6 0 111 394.378 4
Lo Low (pH 4.5-6) 3.09 -3.47 -42.15 6 6 1 112 395.386 4

Activity (Go SEA)

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