UCSF

ZINC34603728

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 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) 0.17 9.29 -108.66 3 7 0 102 419.428 4
Mid Mid (pH 6-8) -2.58 7.36 -83.01 4 7 1 105 420.436 3

Activity (Go SEA)

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