UCSF

ZINC34691567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.07 5.35 -11.46 1 6 0 62 430.467 10
Lo Low (pH 4.5-6) 2.07 6.89 -41.85 2 6 1 63 431.475 10

Activity (Go SEA)

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