UCSF

ZINC44675304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 1.60 5.23 -44.74 1 5 -1 74 257.697 7
Lo Low (pH 4.5-6) 1.60 5.59 -39.42 2 5 0 76 258.705 7

Activity (Go SEA)

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