UCSF

ZINC36874031

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) 2.01 6.9 -42.3 3 6 1 91 273.316 3
Hi High (pH 8-9.5) 2.01 5.76 -12.4 2 6 0 87 272.308 3
Lo Low (pH 4.5-6) 2.01 7.27 -116.29 4 6 2 92 274.324 3

Activity (Go SEA)

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