UCSF

ZINC02784691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 19 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 7.75 -10.2 1 3 0 30 263.291 2
Lo Low (pH 4.5-6) 3.09 7.9 -30.1 2 3 1 31 264.299 2

Activity (Go SEA)

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