UCSF

ZINC36193499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.79 2.49 -43.24 2 5 1 63 292.812 5
Hi High (pH 8-9.5) 1.79 0.15 -8.88 1 5 0 62 291.804 5
Hi High (pH 8-9.5) 1.79 2.1 -30.47 1 5 0 66 291.804 5

Activity (Go SEA)

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