UCSF

ZINC36810061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 1.77 8.29 -16.18 0 3 0 37 223.316 2
Hi High (pH 8-9.5) 2.51 7.14 -53.3 0 3 -1 43 222.308 1

Activity (Go SEA)

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