UCSF

ZINC36996703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.11 8.64 -36.59 2 5 1 62 310.805 4
Lo Low (pH 4.5-6) 3.11 7.56 -45.96 2 5 1 66 310.805 4
Lo Low (pH 4.5-6) 3.11 9.82 -118.53 3 5 2 67 311.813 4

Activity (Go SEA)

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