UCSF

ZINC20317006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 1.45 5.42 -31.42 3 4 1 46 256.414 7
Mid Mid (pH 6-8) 1.45 4.27 -37.52 3 4 1 49 256.414 7
Mid Mid (pH 6-8) 1.45 6.4 -109.62 4 4 2 50 257.422 7

Activity (Go SEA)

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