UCSF

ZINC13713509

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 5.39 13.59 -11.81 0 5 0 50 412.489 4
Ref Reference (pH 7) 5.39 13.35 -7.57 0 5 0 50 412.489 4

Activity (Go SEA)

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