UCSF

ZINC36782025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.98 1.7 -17.78 4 5 0 80 252.343 5
Lo Low (pH 4.5-6) 0.98 2.18 -49.5 5 5 1 81 253.351 5

Activity (Go SEA)

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