UCSF

ZINC31871258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) -0.81 -2.97 -14.16 5 8 0 138 282.281 3
Mid Mid (pH 6-8) -0.35 -5.75 -46.93 4 8 -1 141 281.273 3

Activity (Go SEA)

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