UCSF

ZINC59545332

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 23 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) 6.72 12.38 -46.57 1 3 -1 60 319.465 14
Lo Low (pH 4.5-6) 6.72 10.4 -8.28 2 3 0 58 320.473 14

Activity (Go SEA)

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