UCSF

ZINC36876218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.75 8.16 -103.51 5 3 2 58 279.387 5
Mid Mid (pH 6-8) 2.75 7.73 -49.43 4 3 1 56 278.379 5

Activity (Go SEA)

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