UCSF

ZINC36189960

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.06 2.66 -40.76 2 6 1 67 361.919 6
Hi High (pH 8-9.5) 2.06 0.43 -9.35 1 6 0 66 360.911 6
Mid Mid (pH 6-8) 2.06 2.53 -42.63 2 6 1 67 361.919 6

Activity (Go SEA)

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