UCSF

ZINC05932761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 25 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) 0.04 9.36 -98.08 2 6 0 82 410.243 3
Hi High (pH 8-9.5) 0.04 8.21 -59.26 1 6 -1 77 409.235 3
Mid Mid (pH 6-8) 0.04 7.36 -54.67 3 6 1 79 411.251 3

Activity (Go SEA)

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