UCSF

ZINC34920522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.12 6.06 -17.57 0 9 0 87 480.565 4
Mid Mid (pH 6-8) 1.12 8.27 -65.33 1 9 1 88 481.573 4

Activity (Go SEA)

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