UCSF

ZINC39461344

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2010 26 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) 2.80 5.99 -33.85 2 4 1 31 360.566 6
Mid Mid (pH 6-8) 2.80 5.87 -33.89 2 4 1 31 360.566 6
Lo Low (pH 4.5-6) 2.80 8.24 -87.71 3 4 2 32 361.574 6
Lo Low (pH 4.5-6) 2.80 8.08 -99.98 3 4 2 32 361.574 6

Activity (Go SEA)

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