UCSF

ZINC36453548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 27 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) 4.81 8.1 -18.75 2 7 0 102 371.389 9
Hi High (pH 8-9.5) 4.81 9.11 -61.44 1 7 -1 105 370.381 9

Activity (Go SEA)

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