UCSF

ZINC36987951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.24 2.57 -52.47 4 6 1 84 275.332 5
Hi High (pH 8-9.5) 0.24 2.13 -11.04 3 6 0 82 274.324 5

Activity (Go SEA)

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