UCSF

ZINC46685764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.06 11.88 -45.79 1 3 1 25 359.559 3
Mid Mid (pH 6-8) 4.06 10 -9.95 0 3 0 24 358.551 3

Activity (Go SEA)

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