UCSF

ZINC20193098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.20 10.08 -66.85 2 8 0 107 494.375 8
Hi High (pH 8-9.5) 3.20 7.61 -48.25 1 8 -1 106 493.367 8
Lo Low (pH 4.5-6) 3.29 9.71 -57.69 2 8 1 101 495.383 8

Activity (Go SEA)

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