UCSF

ZINC23360101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 21 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) 3.60 8.95 -18.57 1 4 0 55 321.471 7
Hi High (pH 8-9.5) 3.79 7.88 -46.64 0 4 -1 61 320.463 7

Activity (Go SEA)

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