UCSF

ZINC59688544

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 15 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) 1.40 5.24 -8.76 0 4 0 36 270.13 1
Lo Low (pH 4.5-6) 1.40 5.56 -37.53 1 4 1 38 271.138 1

Activity (Go SEA)

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