UCSF

ZINC35657977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.55 7.08 -4.44 1 2 0 25 238.334 3
Lo Low (pH 4.5-6) 2.55 7.53 -34.58 2 2 1 26 239.342 3
Lo Low (pH 4.5-6) 2.55 8.12 -47.53 2 2 1 29 239.342 3

Activity (Go SEA)

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