UCSF

ZINC16700792

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 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) 3.23 8.21 -59.03 0 6 -1 79 412.437 9
Mid Mid (pH 6-8) 2.65 8.13 -25.59 0 6 0 73 413.445 9
Mid Mid (pH 6-8) 3.68 7.15 -29.98 1 6 0 76 413.445 8

Activity (Go SEA)

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