UCSF

ZINC22915281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 1.57 7.2 -39.95 2 6 1 57 359.494 5
Hi High (pH 8-9.5) 1.57 7.13 -40.76 2 6 1 57 359.494 5
Hi High (pH 8-9.5) 1.57 4.96 -14.56 1 6 0 56 358.486 5

Activity (Go SEA)

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