UCSF

ZINC16393182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 27 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) 5.50 10.73 -20.04 1 6 0 92 395.465 5
Mid Mid (pH 6-8) 5.95 9.5 -45.14 0 6 -1 95 394.457 5

Activity (Go SEA)

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