UCSF

ZINC36777227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.81 6.3 -125.46 4 3 2 45 237.391 8
Hi High (pH 8-9.5) 1.81 6.1 -30.5 3 3 1 43 236.383 8
Mid Mid (pH 6-8) 1.81 4.83 -94.18 4 3 2 45 237.391 8
Mid Mid (pH 6-8) 1.81 4.14 -48.57 3 3 1 44 236.383 8

Activity (Go SEA)

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