UCSF

ZINC36106952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 2.25 5.49 -7.77 1 6 0 62 361.486 8
Mid Mid (pH 6-8) 2.25 8.07 -47.45 2 6 1 63 362.494 8

Activity (Go SEA)

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