UCSF

ZINC36876644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.29 7.13 -45.24 3 6 1 91 273.316 3
Hi High (pH 8-9.5) 2.29 5.74 -13.9 2 6 0 87 272.308 3
Lo Low (pH 4.5-6) 2.29 7.62 -123.38 4 6 2 92 274.324 3

Activity (Go SEA)

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