UCSF

ZINC44609977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.93 4.15 -40.12 2 3 1 33 240.396 7
Hi High (pH 8-9.5) 0.93 2.78 -4.6 1 3 0 28 239.388 7
Lo Low (pH 4.5-6) 0.93 6.47 -113.7 3 3 2 34 241.404 7

Activity (Go SEA)

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