UCSF

ZINC37102662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.58 9.48 -34.43 2 3 1 43 284.464 7
Mid Mid (pH 6-8) 4.58 8.95 -3.95 1 3 0 38 283.456 7

Activity (Go SEA)

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