UCSF

ZINC36132105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.84 5.97 -41.39 3 5 1 64 285.371 2
Mid Mid (pH 6-8) 0.84 5.51 -11.72 2 5 0 62 284.363 2

Activity (Go SEA)

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