UCSF

ZINC69770723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 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) -0.32 4.31 -51.33 3 9 1 111 344.399 5
Hi High (pH 8-9.5) -0.32 2.68 -20.13 2 9 0 110 343.391 5

Activity (Go SEA)

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