UCSF

ZINC22933342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 1.79 5.7 -41.4 3 6 1 66 345.467 6
Hi High (pH 8-9.5) 1.79 5.63 -41.35 3 6 1 66 345.467 6
Mid Mid (pH 6-8) 1.79 3.35 -15.18 2 6 0 65 344.459 6

Activity (Go SEA)

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