UCSF

ZINC34854830

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 5.08 12.72 -58.54 0 4 -1 62 358.417 3
Mid Mid (pH 6-8) 5.08 12.71 -41.06 1 4 0 63 359.425 3

Activity (Go SEA)

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