UCSF

ZINC62001806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 20 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) 2.23 6.63 -59.82 2 5 -1 85 271.296 3
Lo Low (pH 4.5-6) 2.23 4.69 -14.81 3 5 0 82 272.304 3

Activity (Go SEA)

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