UCSF

ZINC36790317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.39 5.43 -131.51 4 4 2 51 266.385 6
Hi High (pH 8-9.5) 2.39 5.16 -34.48 3 4 1 49 265.377 6
Hi High (pH 8-9.5) 2.39 3.16 -49.87 3 4 1 49 265.377 6

Activity (Go SEA)

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