UCSF

ZINC36322596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.67 9.5 -13.65 0 5 0 60 361.323 5
Lo Low (pH 4.5-6) 3.67 10.12 -44.16 1 5 1 61 362.331 5

Activity (Go SEA)

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