UCSF

ZINC61994322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 18 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) 1.45 6.85 -42.51 2 4 1 34 265.406 6
Hi High (pH 8-9.5) 1.45 4.56 -8.85 1 4 0 33 264.398 6
Lo Low (pH 4.5-6) 1.45 8.21 -128.23 3 4 2 38 266.414 6

Activity (Go SEA)

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