UCSF

ZINC36616457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.59 10.53 -10.78 1 6 0 84 367.412 4
Hi High (pH 8-9.5) 3.66 9.32 -45.13 0 6 -1 90 366.404 4

Activity (Go SEA)

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