UCSF

ZINC34579046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) 1.88 6.15 -10.73 1 6 0 85 267.281 8
Hi High (pH 8-9.5) 1.88 5.74 -39.4 0 6 -1 84 266.273 8

Activity (Go SEA)

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