UCSF

ZINC70516460

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) 2.14 4.75 -32.62 3 4 1 55 294.415 11
Hi High (pH 8-9.5) 2.14 3.57 -5.26 2 4 0 51 293.407 11

Activity (Go SEA)

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