UCSF

ZINC13582084

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.50 3.99 -123.36 3 7 2 109 367.386 3
Hi High (pH 8-9.5) 1.64 3.8 -41.21 2 7 -1 114 366.378 3
Mid Mid (pH 6-8) 1.64 3.72 -16.56 3 7 0 112 367.386 3
Mid Mid (pH 6-8) 2.50 4.1 -53.37 2 7 1 111 366.378 3

Activity (Go SEA)

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