UCSF

ZINC36364777

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 2.25 4.54 -29.16 2 7 1 70 407.494 4
Ref Reference (pH 7) 1.60 5.93 -13.24 1 7 0 65 406.486 4
Mid Mid (pH 6-8) 1.60 8.2 -41.47 2 7 1 66 407.494 4
Mid Mid (pH 6-8) 2.25 6.82 -81.61 3 7 2 71 408.502 4

Activity (Go SEA)

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