UCSF

ZINC09470077

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

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) 3.56 9.1 -63.28 0 8 -1 97 480.537 10
Mid Mid (pH 6-8) 2.97 9.03 -22 0 8 0 91 481.545 10
Mid Mid (pH 6-8) 4.00 8.03 -28.86 1 8 0 95 481.545 9
Mid Mid (pH 6-8) 2.86 9.15 -46.06 1 4 1 34 349.52 4
Mid Mid (pH 6-8) 2.86 6.84 -12.4 0 4 0 33 348.512 4

Activity (Go SEA)

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