UCSF

ZINC36999981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.01 6.83 -106.99 5 4 2 61 285.391 5
Hi High (pH 8-9.5) -0.01 4.32 -7.63 3 4 0 58 283.375 5
Mid Mid (pH 6-8) -0.01 6.58 -43.51 4 4 1 60 284.383 5

Activity (Go SEA)

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