UCSF

ZINC35973975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 19 Yes

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) -2.28 3.36 -56.28 5 7 0 126 268.317 7
Hi High (pH 8-9.5) -2.28 2.8 -57.36 4 7 -1 124 267.309 7
Lo Low (pH 4.5-6) -2.28 3.21 -115.67 6 7 1 127 269.325 7

Activity (Go SEA)

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