UCSF

ZINC31868954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 3.12 9.59 -54.17 3 7 1 81 428.582 10
Mid Mid (pH 6-8) 3.12 7.53 -17.41 2 7 0 79 427.574 10

Activity (Go SEA)

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