UCSF

ZINC26822296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 23 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) 1.10 8.95 -97.25 1 7 0 83 316.361 3
Mid Mid (pH 6-8) 1.10 6.48 -62.47 0 7 -1 82 315.353 3
Lo Low (pH 4.5-6) -2.49 7.83 -91.23 2 7 1 86 317.369 2

Activity (Go SEA)

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