UCSF

ZINC08845759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 27 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) 4.26 8.41 -11.71 2 5 0 69 359.429 4
Hi High (pH 8-9.5) 4.26 9.17 -53.19 1 5 -1 72 358.421 4

Activity (Go SEA)

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