UCSF

ZINC49238158

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 1.76 5.42 -8.81 1 4 0 49 243.31 4
Hi High (pH 8-9.5) 2.22 2.57 -48 0 4 -1 52 242.302 4
Mid Mid (pH 6-8) 2.22 4.91 -43.7 1 4 0 53 243.31 4

Activity (Go SEA)

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