UCSF

ZINC44678910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.60 2.52 -12.56 2 5 0 79 310.4 4
Mid Mid (pH 6-8) 2.05 0.28 -42.65 1 5 -1 82 309.392 4

Activity (Go SEA)

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