UCSF

ZINC34949449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 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) 3.32 8.11 -36.22 3 4 1 58 286.399 2
Hi High (pH 8-9.5) 3.32 8.13 -5.94 2 4 0 56 285.391 2

Activity (Go SEA)

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