UCSF

ZINC16976414

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 26 No

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) 2.15 4.97 -55.95 1 8 -1 124 353.31 5
Mid Mid (pH 6-8) 2.15 4.96 -14.43 2 8 0 121 354.318 5
Mid Mid (pH 6-8) 1.57 5.33 -15.76 1 8 0 118 354.318 5

Activity (Go SEA)

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