UCSF

ZINC45045542

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 13 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) 1.97 5.49 -45.52 2 3 0 57 185.267 4
Hi High (pH 8-9.5) 1.97 4.28 -43.7 1 3 -1 52 184.259 4

Activity (Go SEA)

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