UCSF

ZINC34551971

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 3.81 10.07 -6.59 2 4 0 50 366.468 7
Lo Low (pH 4.5-6) 3.81 10.47 -32.1 3 4 1 51 367.476 7
Lo Low (pH 4.5-6) 3.81 10.81 -89.24 4 4 2 52 368.484 7

Activity (Go SEA)

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