UCSF

ZINC12022023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.31 6.91 -59.98 2 7 1 88 434.513 6
Mid Mid (pH 6-8) 2.31 4.87 -21.11 1 7 0 87 433.505 6

Activity (Go SEA)

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