UCSF

ZINC20264781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 33 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) 3.27 8.2 -60.05 0 7 -1 86 445.495 6
Mid Mid (pH 6-8) 3.27 10.47 -70.14 1 7 0 87 446.503 6
Lo Low (pH 4.5-6) 3.27 9.72 -48.5 2 7 1 84 447.511 6

Activity (Go SEA)

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