UCSF

ZINC45701332

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.81 6.62 -95.7 4 4 2 50 259.438 10
Hi High (pH 8-9.5) 1.81 5.27 -36.82 3 4 1 46 258.43 10

Activity (Go SEA)

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