UCSF

ZINC01137063

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 22 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) 2.59 -8.14 -15.34 2 6 0 92 360.844 5
Hi High (pH 8-9.5) 2.59 -7.56 -39.41 1 6 -1 94 359.836 5

Activity (Go SEA)

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