UCSF

ZINC36397845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 31 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) 3.16 4.73 -15.75 1 7 0 79 453.511 8
Mid Mid (pH 6-8) 3.16 6.86 -50.65 2 7 1 80 454.519 8

Activity (Go SEA)

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