UCSF

ZINC69510328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 1.62 4.12 -96.88 5 4 2 61 286.46 6
Hi High (pH 8-9.5) 1.62 3.09 -35.36 4 4 1 57 285.452 6

Activity (Go SEA)

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