UCSF

ZINC25980326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 28 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) 4.95 11.15 -102.52 0 6 -2 99 392.492 14
Lo Low (pH 4.5-6) 4.95 10.03 -57.27 1 6 -1 96 393.5 14

Activity (Go SEA)

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