UCSF

ZINC06352153

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 33 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 10.9 -50.54 0 6 -1 83 445.47 8
Mid Mid (pH 6-8) 4.01 2.14 -23.22 1 6 0 79 446.478 7
Lo Low (pH 4.5-6) 2.98 2.64 -15 0 6 0 76 446.478 8
Lo Low (pH 4.5-6) 4.01 2.25 -52.38 2 6 1 80 447.486 7

Activity (Go SEA)

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