UCSF

ZINC02973176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 29 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) 0.59 4.75 -20.96 3 9 0 122 394.387 5
Hi High (pH 8-9.5) 1.05 2.88 -46.5 2 9 -1 125 393.379 5

Activity (Go SEA)

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