UCSF

ZINC36358997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 3.67 6.44 -29.73 3 6 1 76 400.458 4
Ref Reference (pH 7) 3.02 7.74 -14.12 2 6 0 71 399.45 4

Activity (Go SEA)

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