UCSF

ZINC62089994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 29 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) 2.84 10.22 -58.56 1 6 1 52 399.511 8
Mid Mid (pH 6-8) 2.84 8.01 -15.9 0 6 0 51 398.503 8

Activity (Go SEA)

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