UCSF

ZINC40203911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 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) 4.33 11.93 -19.2 1 5 0 56 401.51 9
Mid Mid (pH 6-8) 4.33 12.22 -41.64 2 5 1 57 402.518 9

Activity (Go SEA)

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