UCSF

ZINC44674030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 18 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) 2.47 7.64 -4.29 1 2 0 25 238.334 4
Lo Low (pH 4.5-6) 2.47 8.66 -39.46 2 2 1 29 239.342 4
Lo Low (pH 4.5-6) 2.47 8.1 -31.59 2 2 1 26 239.342 4

Activity (Go SEA)

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