UCSF

ZINC40292700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.04 9.78 -11.26 1 7 0 75 425.529 9
Mid Mid (pH 6-8) 4.04 10.25 -38.05 2 7 1 76 426.537 9

Activity (Go SEA)

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