UCSF

ZINC33780311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 2.16 5.24 -65.21 3 4 0 77 243.347 8
Lo Low (pH 4.5-6) 2.16 3.26 -39.2 4 4 1 74 244.355 8

Activity (Go SEA)

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