UCSF

ZINC41304577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 26 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) 2.16 7.02 -23.21 1 8 0 99 393.494 7
Mid Mid (pH 6-8) 2.23 5.31 -59.51 0 8 -1 105 392.486 7

Activity (Go SEA)

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