UCSF

ZINC44679552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 0.91 4.12 -89.72 5 3 2 44 213.369 6
Hi High (pH 8-9.5) 0.91 1.71 -39.18 4 3 1 43 212.361 6

Activity (Go SEA)

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