UCSF

ZINC52977852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 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) 2.61 8.17 -18.79 1 5 0 53 383.467 6
Lo Low (pH 4.5-6) 2.61 10.04 -60.1 2 5 1 54 384.475 6

Activity (Go SEA)

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