UCSF

ZINC71850307

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2012 22 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) 2.64 9.98 -49.8 1 4 1 34 313.368 5
Hi High (pH 8-9.5) 2.64 8.13 -15.14 0 4 0 33 312.36 5

Activity (Go SEA)

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