UCSF

ZINC37081906

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) 2.40 4.97 -129.2 4 4 2 51 331.254 5
Mid Mid (pH 6-8) 2.40 3.82 -51.82 3 4 1 49 330.246 5
Mid Mid (pH 6-8) 2.40 4.6 -34.12 3 4 1 49 330.246 5

Activity (Go SEA)

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