UCSF

ZINC34498961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) -0.15 3.47 -69.11 5 6 0 121 247.254 4
Lo Low (pH 4.5-6) -0.15 1.48 -39.42 6 6 1 118 248.262 4

Activity (Go SEA)

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