UCSF

ZINC36889058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.14 7.08 -50.19 2 3 1 34 266.315 4
Hi High (pH 8-9.5) 2.14 5.63 -12.34 1 3 0 30 265.307 4

Activity (Go SEA)

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