UCSF

ZINC36780299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.81 4.98 -49.75 3 3 1 46 259.732 5
Hi High (pH 8-9.5) 2.81 3.9 -9.4 2 3 0 41 258.724 5

Activity (Go SEA)

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