UCSF

ZINC37393534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 0.45 1.43 -10.98 3 5 0 68 277.368 6
Mid Mid (pH 6-8) 0.45 3.7 -46.42 4 5 1 69 278.376 6

Activity (Go SEA)

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