UCSF

ZINC19453163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 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) 2.16 6.57 -58.68 0 6 -1 73 371.457 6
Mid Mid (pH 6-8) 2.16 8.91 -71.78 1 6 0 74 372.465 6
Mid Mid (pH 6-8) 2.16 5.58 -15.04 1 6 0 70 372.465 6

Activity (Go SEA)

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