UCSF

ZINC34594445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 3.16 5.13 -11.06 1 5 0 51 401.478 2
Mid Mid (pH 6-8) 3.16 6.86 -47.3 2 5 1 52 402.486 2

Activity (Go SEA)

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