UCSF

ZINC41671600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

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) 3.13 6.89 -12.09 3 4 0 60 265.316 4
Mid Mid (pH 6-8) 3.13 7.26 -25.81 4 4 1 61 266.324 4

Activity (Go SEA)

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