UCSF

ZINC37393559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.16 2.13 -4.85 3 4 0 51 314.227 5
Mid Mid (pH 6-8) 2.16 4.41 -42.46 4 4 1 52 315.235 5

Activity (Go SEA)

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