UCSF

ZINC37003483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.20 2.63 -73.91 3 7 0 107 299.352 4
Hi High (pH 8-9.5) 0.20 0.21 -49.68 2 7 -1 105 298.344 4

Activity (Go SEA)

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