UCSF

ZINC45701662

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.05 3.11 -39.43 3 4 1 63 216.301 6
Hi High (pH 8-9.5) 1.05 1.94 -5.89 2 4 0 59 215.293 6

Activity (Go SEA)

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