UCSF

ZINC37843557

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 3.09 4.2 -11.48 1 4 0 55 312.218 7
Mid Mid (pH 6-8) 3.09 4.36 -41.76 0 4 -1 57 311.21 7

Activity (Go SEA)

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