UCSF

ZINC36353713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 4.45 7.83 -57.69 1 6 -1 93 482.335 2
Ref Reference (pH 7) 4.27 10.46 -51.97 1 6 -1 90 482.335 2

Activity (Go SEA)

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