UCSF

ZINC32204062

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.00 5.11 -6.95 3 4 0 68 266.728 5
Mid Mid (pH 6-8) 2.00 5.41 -43.25 4 4 1 70 267.736 5

Activity (Go SEA)

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