UCSF

ZINC45370870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 37 Yes

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) 8.36 17.74 -27.91 2 5 1 57 510.58 9
Mid Mid (pH 6-8) 8.36 17.97 -17.69 1 5 0 56 509.572 9
Mid Mid (pH 6-8) 8.36 17.81 -38.71 2 5 1 60 510.58 9
Lo Low (pH 4.5-6) 8.36 17.98 -88.93 3 5 2 61 511.588 9

Activity (Go SEA)

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