UCSF

ZINC30290371

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 19 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) 3.05 3.87 -9.6 1 5 0 72 370.29 6
Hi High (pH 8-9.5) 3.05 3.59 -39.36 0 5 -1 75 369.282 6

Activity (Go SEA)

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