UCSF

ZINC42765875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 1.81 7.04 -34.27 3 4 1 49 311.471 10
Mid Mid (pH 6-8) 1.81 4.74 -12.3 2 4 0 48 310.463 10

Activity (Go SEA)

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