UCSF

ZINC20229861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 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) 3.49 8.25 -59.06 0 8 -1 91 493.58 11
Mid Mid (pH 6-8) 3.49 10.58 -78.97 1 8 0 93 494.588 11
Lo Low (pH 4.5-6) 3.49 9.76 -57.19 2 8 1 90 495.596 11

Activity (Go SEA)

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