UCSF

ZINC20188287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.51 3.82 -51.27 3 4 1 63 271.406 8
Hi High (pH 8-9.5) 2.51 2.31 -9.39 2 4 0 58 270.398 8

Activity (Go SEA)

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