UCSF

ZINC70516521

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) 1.88 4.06 -32.61 3 4 1 55 284.42 8
Hi High (pH 8-9.5) 1.88 2.89 -3.76 2 4 0 51 283.412 8

Activity (Go SEA)

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