UCSF

ZINC36616797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 Yes

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) 4.75 13.21 -13.59 1 6 0 73 439.563 8
Lo Low (pH 4.5-6) 4.75 13.67 -43.89 2 6 1 74 440.571 8

Activity (Go SEA)

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