UCSF

ZINC36911487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.53 7.02 -9.33 0 4 0 30 307.825 6
Mid Mid (pH 6-8) 2.53 9.29 -49.38 1 4 1 31 308.833 6
Lo Low (pH 4.5-6) 2.53 9.71 -94 2 4 2 33 309.841 6

Activity (Go SEA)

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