UCSF

ZINC20608618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 4.95 9.09 -8.42 0 4 0 38 375.394 6
Mid Mid (pH 6-8) 4.95 11.2 -43.69 1 4 1 39 376.402 6
Mid Mid (pH 6-8) 4.95 11.51 -42.82 1 4 1 39 376.402 6

Activity (Go SEA)

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