UCSF

ZINC53138152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.27 5.8 -60.75 4 4 1 74 283.351 3
Hi High (pH 8-9.5) 1.73 2.83 -48.64 2 4 -1 75 281.335 3
Hi High (pH 8-9.5) 1.27 5.5 -10.21 3 4 0 72 282.343 3

Activity (Go SEA)

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