UCSF

ZINC38003367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) 2.29 3.16 -52.87 2 3 1 51 313.262 5
Mid Mid (pH 6-8) 2.29 1.94 -11.84 1 3 0 46 312.254 5

Activity (Go SEA)

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