UCSF

ZINC20981247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 3.00 6.3 -20.22 1 5 0 64 311.794 5
Hi High (pH 8-9.5) 3.07 5.4 -45.18 0 5 -1 70 310.786 5

Activity (Go SEA)

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