UCSF

ZINC45820965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 13 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) 0.45 1.87 -56.01 4 4 1 69 175.215 1
Hi High (pH 8-9.5) 0.45 1.81 -7.81 3 4 0 68 174.207 1

Activity (Go SEA)

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