UCSF

ZINC36732246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 2.53 5.8 -101.96 4 2 2 32 214.397 6
Hi High (pH 8-9.5) 2.53 5.43 -28.63 3 2 1 30 213.389 6
Hi High (pH 8-9.5) 2.53 4.62 -42.62 3 2 1 31 213.389 6

Activity (Go SEA)

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