UCSF

ZINC38203298

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 24 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) 3.35 5.86 -42.92 0 5 -1 75 384.209 2
Lo Low (pH 4.5-6) 2.89 8.29 -8.14 1 5 0 72 385.217 2

Activity (Go SEA)

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