UCSF

ZINC20783962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 2.18 3.03 -49.9 3 7 1 83 399.515 9
Mid Mid (pH 6-8) 2.18 3.08 -51.71 3 7 1 83 399.515 9
Mid Mid (pH 6-8) 2.18 0.7 -11.35 2 7 0 82 398.507 9

Activity (Go SEA)

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