UCSF

ZINC07843999

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 17 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) 2.72 6.18 -46.89 2 3 1 34 233.335 3
Mid Mid (pH 6-8) 2.72 3.91 -8.38 1 3 0 32 232.327 3

Activity (Go SEA)

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