UCSF

ZINC36639262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 5.23 10.86 -17.03 1 3 0 42 405.292 4
Hi High (pH 8-9.5) 5.30 10.31 -49.38 0 3 -1 48 404.284 4

Activity (Go SEA)

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