UCSF

ZINC33492092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 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) 3.81 13.81 -53.81 1 8 0 111 451.523 10
Lo Low (pH 4.5-6) 3.81 12.68 -56.18 2 8 1 108 452.531 10

Activity (Go SEA)

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