UCSF

ZINC31898252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 33 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) 2.60 11.72 -57.16 2 9 1 108 492.647 10
Mid Mid (pH 6-8) 2.60 9.6 -19.73 1 9 0 106 491.639 10

Activity (Go SEA)

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