UCSF

ZINC39952034

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 0.25 0.6 -47.46 3 5 1 60 242.343 3
Hi High (pH 8-9.5) 0.25 0.14 -6.88 2 5 0 59 241.335 3

Activity (Go SEA)

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