UCSF

ZINC41198317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.64 7.56 -31.7 2 2 1 29 257.382 3
Hi High (pH 8-9.5) 2.64 5.95 -5.52 1 2 0 25 256.374 3

Activity (Go SEA)

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