UCSF

ZINC34684701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 2.20 3.92 -11.05 1 7 0 74 411.893 6
Mid Mid (pH 6-8) 2.20 6.18 -51.89 2 7 1 76 412.901 6
Lo Low (pH 4.5-6) 2.20 6.58 -96.31 3 7 2 77 413.909 6

Activity (Go SEA)

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