UCSF

ZINC36803925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 1.21 9.01 -54.47 2 5 1 61 274.344 7
Hi High (pH 8-9.5) 1.21 7.9 -10.33 1 5 0 56 273.336 7
Mid Mid (pH 6-8) 1.21 9.52 -92.76 3 5 2 62 275.352 7

Activity (Go SEA)

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