UCSF

ZINC36369981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 2.29 6.62 -18.14 1 7 0 75 405.454 4
Ref Reference (pH 7) 2.29 6.39 -15.74 1 7 0 75 405.454 4
Mid Mid (pH 6-8) 2.29 8.8 -61.62 2 7 1 76 406.462 4
Mid Mid (pH 6-8) 2.29 8.78 -59.6 2 7 1 76 406.462 4

Activity (Go SEA)

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