UCSF

ZINC39964079

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 30 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) 4.57 14.55 -13.48 1 6 0 67 402.498 4
Mid Mid (pH 6-8) 4.57 15.01 -35.82 2 6 1 68 403.506 4

Activity (Go SEA)

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