UCSF

ZINC33828158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 32 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) 1.62 8.56 -15.8 0 7 0 62 433.556 8
Mid Mid (pH 6-8) 1.62 9.3 -36.58 1 7 1 63 434.564 8
Lo Low (pH 4.5-6) 1.62 11.5 -99.54 2 7 2 64 435.572 8

Activity (Go SEA)

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