UCSF

ZINC52272998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 No

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) 3.04 8.08 -41.2 2 4 1 62 241.698 4
Hi High (pH 8-9.5) 3.04 6.8 -4.48 1 4 0 58 240.69 4

Activity (Go SEA)

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