UCSF

ZINC70517825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.21 2.93 -45.49 4 4 1 70 275.372 7
Hi High (pH 8-9.5) 2.21 2.6 -11.49 3 4 0 68 274.364 7

Activity (Go SEA)

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