UCSF

ZINC45619241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.09 5.82 -35.42 2 3 1 28 263.405 5
Hi High (pH 8-9.5) 2.09 3.43 -3.52 1 3 0 27 262.397 5
Mid Mid (pH 6-8) 2.09 7.75 -111.62 3 3 2 29 264.413 5

Activity (Go SEA)

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