UCSF

ZINC15016022

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 5.66 10.12 -7.31 1 4 0 48 369.465 5
Mid Mid (pH 6-8) 5.66 10.24 -37.77 2 4 0 50 370.473 5
Mid Mid (pH 6-8) 5.17 10.28 -59.95 1 4 0 48 369.465 6

Activity (Go SEA)

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