UCSF

ZINC44829839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 0.62 4.49 -17.22 2 4 0 50 291.42 4
Mid Mid (pH 6-8) 0.62 6.71 -55.81 3 4 1 51 292.428 4

Activity (Go SEA)

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