UCSF

ZINC35925747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 35 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) 5.21 12.24 -8.83 1 6 0 53 481.591 7
Mid Mid (pH 6-8) 5.21 14.51 -43.33 2 6 1 55 482.599 7

Activity (Go SEA)

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