UCSF

ZINC45699671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 0.87 5.13 -96.06 4 5 2 60 306.491 14
Hi High (pH 8-9.5) 0.87 3.71 -36.33 3 5 1 55 305.483 14

Activity (Go SEA)

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