UCSF

ZINC36237917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 2.23 9.04 -56.42 2 6 1 56 367.473 5
Mid Mid (pH 6-8) 2.23 8.06 -87.22 3 6 2 57 368.481 5

Activity (Go SEA)

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