UCSF

ZINC42689590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.13 6.13 -82.25 3 3 2 24 243.439 7
Hi High (pH 8-9.5) 2.13 6.18 -110.88 3 3 2 24 243.439 7
Hi High (pH 8-9.5) 2.13 4.95 -32.23 2 3 1 20 242.431 7

Activity (Go SEA)

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