UCSF

ZINC34936240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.20 6.61 -116.37 4 3 2 35 247.386 3
Hi High (pH 8-9.5) 1.20 4.49 -43.02 3 3 1 34 246.378 3
Mid Mid (pH 6-8) 1.20 6.95 -29.01 3 3 1 34 246.378 3

Activity (Go SEA)

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