UCSF

ZINC02498320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 15 No

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) 1.77 1.18 -37.7 1 2 1 17 225.381 7
Lo Low (pH 4.5-6) 1.77 1.32 -99.16 2 2 2 18 226.389 7

Activity (Go SEA)

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