UCSF

ZINC13688092

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) 5.19 14.37 -10.21 0 5 0 50 420.468 3
Ref Reference (pH 7) 5.19 14.08 -14.28 0 5 0 50 420.468 3

Activity (Go SEA)

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