UCSF

ZINC37054338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.31 2.14 -46.99 2 5 -1 87 412.108 3
Mid Mid (pH 6-8) 3.24 2.69 -14.83 3 5 0 88 413.116 2

Activity (Go SEA)

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