UCSF

ZINC27559902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 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) 2.97 9.35 -43.49 2 2 1 26 268.38 4
Hi High (pH 8-9.5) 2.97 8.32 -4.34 1 2 0 21 267.372 4

Activity (Go SEA)

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