UCSF

ZINC13683395

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 22 No

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) 2.12 3.1 -28.67 4 7 1 116 317.35 2
Mid Mid (pH 6-8) 2.12 3.12 -100.86 5 7 2 117 318.358 2

Activity (Go SEA)

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