UCSF

ZINC03398672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 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) 3.01 8.48 -12.22 1 5 0 59 298.342 6
Lo Low (pH 4.5-6) 3.01 9.22 -28.12 2 5 0 60 299.35 6

Activity (Go SEA)

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