UCSF

ZINC20483648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 11 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) -0.10 -1.32 -9.09 3 4 0 68 154.169 3
Mid Mid (pH 6-8) -0.10 -0.86 -32.95 4 4 1 70 155.177 3

Activity (Go SEA)

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