UCSF

ZINC41584926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

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) 4.79 10.24 -46.04 2 6 1 67 493.53 7
Hi High (pH 8-9.5) 4.79 8.75 -43.38 0 6 -1 69 491.514 7
Mid Mid (pH 6-8) 4.79 7.99 -10.21 1 6 0 66 492.522 7
Mid Mid (pH 6-8) 4.79 10.25 -48.66 2 6 1 67 493.53 7
Mid Mid (pH 6-8) 4.79 11.02 -30.66 1 6 0 70 492.522 7

Activity (Go SEA)

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