UCSF

ZINC11914454

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 2.81 -2.5 -11.5 2 5 0 78 389.81 6
Mid Mid (pH 6-8) 2.23 -2.62 -17.91 1 5 0 75 389.81 6

Activity (Go SEA)

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