UCSF

ZINC34130779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 20 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) -2.04 -4.7 -13.21 6 9 0 151 281.272 2
Lo Low (pH 4.5-6) -2.04 -4.23 -35.97 7 9 1 152 282.28 2

Activity (Go SEA)

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