UCSF

ZINC44829030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.37 3.69 -39.28 4 4 1 60 246.4 8
Hi High (pH 8-9.5) 0.55 1.95 -41.12 3 4 0 66 245.392 8

Activity (Go SEA)

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