UCSF

ZINC00331247

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 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) 1.57 3.31 -5.8 1 3 0 38 171.203 2
Lo Low (pH 4.5-6) 1.57 3.6 -36.63 2 3 1 39 172.211 2
Lo Low (pH 4.5-6) 1.57 3.6 -35.33 2 3 1 39 172.211 2
Lo Low (pH 4.5-6) 1.57 3.89 -82.95 3 3 2 40 173.219 2

Activity (Go SEA)

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