UCSF

ZINC33808592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 3.82 14 -72.27 1 8 0 96 523.674 15
Lo Low (pH 4.5-6) 3.82 12.71 -59.57 2 8 1 93 524.682 15

Activity (Go SEA)

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