UCSF

ZINC22938117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 1.38 9.3 -146.4 3 4 3 17 287.516 10
Hi High (pH 8-9.5) 1.38 6.91 -77.03 2 4 2 15 286.508 10

Activity (Go SEA)

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