UCSF

ZINC32400606

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2009 21 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) 2.32 5.98 -45.95 1 5 1 51 313.443 4
Mid Mid (pH 6-8) 2.32 3.57 -8.72 0 5 0 50 312.435 4

Activity (Go SEA)

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