UCSF

ZINC15779579

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 2.03 8.68 -39.29 1 6 1 50 353.494 5
Mid Mid (pH 6-8) 2.03 6.3 -8.14 0 6 0 48 352.486 5
Mid Mid (pH 6-8) 2.03 9.04 -81.84 2 6 2 51 354.502 5
Lo Low (pH 4.5-6) 2.03 11.14 -170.93 3 6 3 52 355.51 5

Activity (Go SEA)

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