UCSF

ZINC53156667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 4.16 6.91 -41 3 3 1 46 311.808 3
Mid Mid (pH 6-8) 4.16 5.64 -8.85 2 3 0 41 310.8 3

Activity (Go SEA)

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