UCSF

ZINC04285413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 3.14 -0.41 -19.58 2 7 0 88 407.499 8

Activity (Go SEA)

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