UCSF

ZINC33808366

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 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) 2.87 12.88 -54.57 0 8 -1 105 520.565 10
Lo Low (pH 4.5-6) 2.87 11.59 -22.23 1 8 0 102 521.573 10

Activity (Go SEA)

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