UCSF

ZINC37184057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.67 6.12 -37.44 2 4 1 33 257.427 8
Hi High (pH 8-9.5) 1.67 3.64 -5.25 1 4 0 31 256.419 8
Lo Low (pH 4.5-6) 1.67 6.56 -73.72 3 4 2 34 258.435 8
Lo Low (pH 4.5-6) 1.67 7.47 -113.18 3 4 2 37 258.435 8

Activity (Go SEA)

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