UCSF

ZINC43982010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.16 6.27 -91.42 3 3 2 24 243.439 7
Hi High (pH 8-9.5) 2.16 3.89 -35.47 2 3 1 23 242.431 7
Lo Low (pH 4.5-6) 2.16 8.21 -197.98 4 3 3 25 244.447 7

Activity (Go SEA)

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