UCSF

ZINC49722936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 41 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) 9.59 24.11 -24 2 5 1 57 562.863 19
Hi High (pH 8-9.5) 9.59 23.81 -15.68 1 5 0 56 561.855 19
Mid Mid (pH 6-8) 9.59 23.93 -83.85 3 5 2 61 563.871 19

Activity (Go SEA)

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