UCSF

ZINC63020878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 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) -0.21 3.35 -60.16 5 8 1 112 267.313 3
Hi High (pH 8-9.5) -0.70 2.29 -62.66 4 8 0 115 266.305 3

Activity (Go SEA)

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