UCSF

ZINC34874589

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 3.15 7.06 -15.03 3 8 0 100 481.622 11
Mid Mid (pH 6-8) 3.15 9.32 -50.94 4 8 1 101 482.63 11

Activity (Go SEA)

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