UCSF

ZINC16737282

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 4.15 7.1 -11.26 1 3 0 46 383.313 6
Hi High (pH 8-9.5) 4.15 6.77 -42.26 0 3 -1 48 382.305 6

Activity (Go SEA)

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