UCSF

ZINC36366110

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.19 5.46 -11.13 2 5 0 71 384.233 2
Ref Reference (pH 7) 3.00 8.11 -11.71 2 5 0 67 384.233 2

Activity (Go SEA)

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