UCSF

ZINC36358863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 0.23 -3.08 -19.04 2 7 0 105 324.358 2
Ref Reference (pH 7) 0.05 -0.44 -19.97 2 7 0 102 324.358 2
Hi High (pH 8-9.5) 0.42 -4.95 -48.48 1 7 -1 111 323.35 2

Activity (Go SEA)

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