UCSF

ZINC31973068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.24 6.13 -49.47 0 4 -1 57 189.194 3
Mid Mid (pH 6-8) 1.24 6.58 -54.36 1 4 0 59 190.202 3

Activity (Go SEA)

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