UCSF

ZINC44261909

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.03 1.17 -39.13 2 5 -1 87 300.722 3
Mid Mid (pH 6-8) 2.03 1.14 -9.3 3 5 0 85 301.73 3

Activity (Go SEA)

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