UCSF

ZINC34937045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.66 9.59 -11.71 0 6 0 81 267.244 3
Lo Low (pH 4.5-6) 2.66 10.07 -48.27 1 6 1 82 268.252 3

Activity (Go SEA)

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