UCSF

ZINC36253756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 1.20 4.47 -22.79 3 8 0 127 293.308 4
Hi High (pH 8-9.5) 1.27 2.81 -51.7 2 8 -1 133 292.3 4

Activity (Go SEA)

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