UCSF

ZINC27118107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 22 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) 0.68 1.95 -17.28 2 6 0 79 324.402 5
Hi High (pH 8-9.5) 0.68 2.74 -50.49 1 6 -1 82 323.394 5

Activity (Go SEA)

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