UCSF

ZINC33813565

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 3.95 12.65 -70.06 1 9 0 124 506.584 9
Lo Low (pH 4.5-6) 3.95 11.95 -53.12 2 9 1 121 507.592 9

Activity (Go SEA)

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