UCSF

ZINC70516854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.47 4.7 -36.87 3 4 1 55 294.415 9
Hi High (pH 8-9.5) 2.47 2.98 -4.47 2 4 0 51 293.407 9

Activity (Go SEA)

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