UCSF

ZINC13734393

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 3.00 7.16 -38.13 2 4 1 35 315.865 10
Mid Mid (pH 6-8) 3.00 6.4 -50.69 2 4 1 38 315.865 10

Activity (Go SEA)

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