UCSF

ZINC36139604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 3.80 12.25 -8.29 0 4 0 27 363.505 3
Mid Mid (pH 6-8) 3.80 12.05 -39.04 1 4 1 28 364.513 3

Activity (Go SEA)

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