UCSF

ZINC37038334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.13 3.79 -49.51 3 4 1 51 284.33 3
Mid Mid (pH 6-8) 0.13 5.58 -128.98 4 4 2 52 285.338 3
Mid Mid (pH 6-8) 0.13 5.19 -45.07 3 4 1 51 284.33 3

Activity (Go SEA)

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