UCSF

ZINC43247719

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) 2.81 4.94 -39.33 3 2 1 31 253.435 4
Hi High (pH 8-9.5) 2.81 6.4 -28.25 3 2 1 30 253.435 4
Hi High (pH 8-9.5) 2.81 4.58 -1.53 2 2 0 29 252.427 4
Lo Low (pH 4.5-6) 2.81 6.74 -119.68 4 2 2 32 254.443 4

Activity (Go SEA)

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