UCSF

ZINC36875317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.27 5.96 -111.16 4 2 2 32 214.397 3
Hi High (pH 8-9.5) 2.27 5.62 -31.6 3 2 1 30 213.389 3
Hi High (pH 8-9.5) 2.27 4.33 -41.95 3 2 1 31 213.389 3

Activity (Go SEA)

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