UCSF

ZINC13861589

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 28 No

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) 0.60 2.49 -410.04 1 12 -4 203 429.218 8
Hi High (pH 8-9.5) 0.60 3.26 -537.79 0 12 -5 206 428.21 8
Hi High (pH 8-9.5) 0.60 3.71 -430.49 1 12 -4 207 429.218 8
Mid Mid (pH 6-8) 0.60 1.34 -249.65 2 12 -3 200 430.226 8
Mid Mid (pH 6-8) 0.60 1.34 -259.05 2 12 -3 200 430.226 8
Lo Low (pH 4.5-6) 0.60 0.18 -128.32 3 12 -2 197 431.234 8

Activity (Go SEA)

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