UCSF

ZINC21800215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.71 9.33 -57.91 2 6 1 61 365.457 5
Mid Mid (pH 6-8) 2.71 6.93 -18.33 1 6 0 59 364.449 5
Mid Mid (pH 6-8) 2.71 7.53 -35.97 2 6 1 61 365.457 5

Activity (Go SEA)

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