UCSF

ZINC37110317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.02 2.95 -6.6 1 3 0 32 202.323 3
Mid Mid (pH 6-8) 1.02 4.17 -37.92 2 3 1 37 203.331 3

Activity (Go SEA)

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