UCSF

ZINC37081911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.27 5.2 -130.01 4 4 2 51 286.803 5
Mid Mid (pH 6-8) 2.27 3.59 -52.87 3 4 1 49 285.795 5
Mid Mid (pH 6-8) 2.27 4.96 -34.03 3 4 1 49 285.795 5

Activity (Go SEA)

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