UCSF

ZINC11819406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 1.77 -2.48 -43.27 1 6 1 66 342.485 8
Mid Mid (pH 6-8) 1.77 -2.21 -98.97 2 6 2 67 343.493 8

Activity (Go SEA)

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