UCSF

ZINC08120270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 28 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) 2.06 8.48 -58.11 1 6 1 62 406.503 6
Mid Mid (pH 6-8) 2.06 6.22 -16.55 0 6 0 61 405.495 6

Activity (Go SEA)

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