UCSF

ZINC40184745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 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) 2.15 6.97 -11.55 1 5 0 60 308.385 5
Mid Mid (pH 6-8) 2.15 7.87 -28.22 2 5 1 61 309.393 5

Activity (Go SEA)

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