UCSF

ZINC21886141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 3.02 10.05 -49.11 2 6 1 63 382.532 8
Hi High (pH 8-9.5) 3.02 7.82 -17.26 1 6 0 61 381.524 8
Lo Low (pH 4.5-6) 3.02 10.39 -82.56 3 6 2 64 383.54 8

Activity (Go SEA)

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