UCSF

ZINC45628340

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.83 6.53 -8.53 2 6 0 90 232.243 2
Lo Low (pH 4.5-6) 1.83 6.61 -33.89 3 6 1 91 233.251 2

Activity (Go SEA)

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