UCSF

ZINC43134971

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 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) 3.62 9.18 -46.19 3 5 1 49 367.517 6
Mid Mid (pH 6-8) 3.62 11.11 -129.47 4 5 2 50 368.525 6
Mid Mid (pH 6-8) 3.62 6.79 -10.26 2 5 0 48 366.509 6

Activity (Go SEA)

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