UCSF

ZINC36642404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 3.13 10.11 -51.4 1 4 1 38 322.429 5
Hi High (pH 8-9.5) 3.13 7.63 -8.99 0 4 0 36 321.421 5

Activity (Go SEA)

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