UCSF

ZINC44844880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) 1.08 3.36 -4.98 2 4 0 50 269.414 4
Mid Mid (pH 6-8) 1.08 5.55 -36.23 3 4 1 51 270.422 4

Activity (Go SEA)

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