UCSF

ZINC36359273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 2.56 2.35 -19.04 2 7 0 97 340.335 4
Ref Reference (pH 7) 2.37 5.02 -21.01 2 7 0 94 340.335 4

Activity (Go SEA)

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