UCSF

ZINC09463128

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 4.09 10.46 -59.53 0 6 -1 79 505.344 5
Mid Mid (pH 6-8) 4.54 10.22 -28.64 1 6 0 76 506.352 4

Activity (Go SEA)

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