UCSF

ZINC09425009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 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) 2.11 3.72 -72.43 1 9 -1 118 470.498 12
Mid Mid (pH 6-8) 2.56 3.19 -32.66 2 9 0 115 471.506 11
Mid Mid (pH 6-8) 1.53 -3 -25.61 1 9 0 111 471.506 12

Activity (Go SEA)

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