UCSF

ZINC12372355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 23 No

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) 3.18 9.15 -9.05 1 4 0 53 310.397 3
Ref Reference (pH 7) 3.18 9.22 -10.1 1 4 0 53 310.397 3
Ref Reference (pH 7) 3.18 9.15 -8.96 1 4 0 53 310.397 3

Activity (Go SEA)

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