UCSF

ZINC37503030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 18 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) 0.93 -0.92 -15.68 4 6 0 102 252.27 6
Hi High (pH 8-9.5) 0.93 0.08 -61.03 3 6 -1 104 251.262 6

Activity (Go SEA)

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