UCSF

ZINC34885525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 23 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) 2.10 9.16 -47.66 2 4 1 40 308.405 3
Hi High (pH 8-9.5) 2.10 7.85 -7.41 1 4 0 36 307.397 3

Activity (Go SEA)

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