UCSF

ZINC16730925

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 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) 3.74 11.36 -72.29 1 8 0 93 496.604 13
Hi High (pH 8-9.5) 3.74 9.04 -58.44 0 8 -1 91 495.596 13
Mid Mid (pH 6-8) 4.19 10.21 -60.15 2 8 1 90 497.612 12
Mid Mid (pH 6-8) 3.16 11.17 -65.69 1 8 1 87 497.612 13

Activity (Go SEA)

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