UCSF

ZINC44651589

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.09 5.62 -47.43 3 4 1 59 254.379 5
Hi High (pH 8-9.5) 2.65 3.49 -7.62 2 4 0 57 253.371 4
Mid Mid (pH 6-8) 1.91 4.39 -40.58 2 4 0 65 253.371 5

Activity (Go SEA)

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