UCSF

ZINC12462719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 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) 5.17 9.14 -8.93 1 4 0 48 337.448 3
Ref Reference (pH 7) 5.17 9.56 -9.16 1 4 0 48 337.448 3
Mid Mid (pH 6-8) 4.68 9.13 -45.64 0 4 -1 47 336.44 4

Activity (Go SEA)

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