UCSF

ZINC37138495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.10 5.8 -41 2 4 1 37 268.425 2
Mid Mid (pH 6-8) 1.10 4.91 -47.16 2 4 1 40 268.425 2
Mid Mid (pH 6-8) 1.10 6.87 -111.62 3 4 2 41 269.433 2

Activity (Go SEA)

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