UCSF

ZINC03371238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 24 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) 4.73 -2.06 -11.58 1 3 0 46 341.407 5
Hi High (pH 8-9.5) 4.73 -1.6 -48.63 0 3 -1 48 340.399 5

Activity (Go SEA)

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