UCSF

ZINC20391542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 2.90 6.86 -51.59 2 7 1 77 397.451 5
Hi High (pH 8-9.5) 2.90 5.08 -46.23 0 7 -1 78 395.435 5
Mid Mid (pH 6-8) 2.90 6.77 -52.03 2 7 1 77 397.451 5
Mid Mid (pH 6-8) 2.90 4.5 -14.24 1 7 0 75 396.443 5

Activity (Go SEA)

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