UCSF

ZINC13567285

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 4.23 7.06 -44.37 1 7 -1 96 436.513 6
Mid Mid (pH 6-8) 3.77 8.99 -13.54 2 7 0 93 437.521 6
Mid Mid (pH 6-8) 3.77 8.46 -19.43 2 7 0 93 437.521 6

Activity (Go SEA)

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