UCSF

ZINC36639258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) 5.07 10.8 -15.67 1 3 0 42 387.302 4
Hi High (pH 8-9.5) 5.13 10.24 -50.16 0 3 -1 48 386.294 4

Activity (Go SEA)

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