UCSF

ZINC36615896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 29 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) 2.79 11.14 -16.23 1 7 0 78 406.877 4
Mid Mid (pH 6-8) 2.79 11.4 -40.67 2 7 1 79 407.885 4

Activity (Go SEA)

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