UCSF

ZINC12481795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) 3.10 6.03 -17.92 2 6 0 84 334.426 6
Hi High (pH 8-9.5) 2.73 4.27 -53.18 1 6 -1 90 333.418 7

Activity (Go SEA)

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