UCSF

ZINC36781102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) -0.04 2.21 -49.36 3 5 1 66 216.305 7
Mid Mid (pH 6-8) -0.04 0.86 -17.13 2 5 0 61 215.297 7

Activity (Go SEA)

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