UCSF

ZINC37799593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.23 4.12 -43.82 2 5 1 49 282.408 6
Hi High (pH 8-9.5) 0.23 2.75 -8.64 1 5 0 45 281.4 6
Mid Mid (pH 6-8) 0.23 6.34 -99.41 3 5 2 51 283.416 6

Activity (Go SEA)

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