UCSF

ZINC59387425

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 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) 3.66 13.65 -34.88 1 3 1 25 337.487 8
Hi High (pH 8-9.5) 3.66 11.67 -9.13 0 3 0 24 336.479 8

Activity (Go SEA)

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