UCSF

ZINC29641167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 20 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) 1.13 1.74 -23.84 2 7 0 101 312.376 5
Hi High (pH 8-9.5) 1.20 0.91 -96.07 0 7 -2 109 310.36 5
Mid Mid (pH 6-8) 1.13 1.81 -53.76 1 7 -1 103 311.368 5

Activity (Go SEA)

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