UCSF

ZINC36664962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 3.85 9.83 -122.02 4 2 2 32 288.479 2
Hi High (pH 8-9.5) 3.85 9.5 -31.17 3 2 1 30 287.471 2
Hi High (pH 8-9.5) 3.85 9.25 -47.49 3 2 1 31 287.471 2

Activity (Go SEA)

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