UCSF

ZINC37822203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.28 4.37 -41.94 2 4 1 50 222.312 5
Hi High (pH 8-9.5) 0.28 2.93 -10.53 1 4 0 45 221.304 5
Lo Low (pH 4.5-6) 0.28 4.84 -84.51 3 4 2 51 223.32 5

Activity (Go SEA)

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