UCSF

ZINC43461498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 0.89 2.86 -53.22 2 5 1 63 303.379 5
Hi High (pH 8-9.5) 0.89 1.56 -13.2 1 5 0 59 302.371 5

Activity (Go SEA)

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