UCSF

ZINC34686092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.40 3.97 -20.2 0 10 0 90 451.52 8
Lo Low (pH 4.5-6) -0.40 6.23 -59.22 1 10 1 91 452.528 8

Activity (Go SEA)

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