UCSF

ZINC42205885

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.90 10.56 -34.16 1 1 1 4 291.212 4
Hi High (pH 8-9.5) 3.90 8.19 -3.28 0 1 0 3 290.204 4

Activity (Go SEA)

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