UCSF

ZINC14980814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 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) 2.37 8.01 -38.7 2 4 1 37 320.501 5
Mid Mid (pH 6-8) 2.37 10.43 -100.64 3 4 2 38 321.509 5
Lo Low (pH 4.5-6) 2.37 8.22 -39.13 2 4 1 37 320.501 5

Activity (Go SEA)

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