UCSF

ZINC43247284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.43 1.42 -37.81 4 3 1 51 255.407 3
Hi High (pH 8-9.5) 0.43 3.09 -33.6 4 3 1 51 255.407 3
Hi High (pH 8-9.5) 0.43 1.05 -3.31 3 3 0 49 254.399 3
Lo Low (pH 4.5-6) 0.43 3.38 -113.03 5 3 2 52 256.415 3

Activity (Go SEA)

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