UCSF

ZINC45283634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 17 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) 1.21 1.19 -49.62 5 4 1 77 231.275 2
Hi High (pH 8-9.5) 1.21 0.88 -11.2 4 4 0 75 230.267 2

Activity (Go SEA)

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