UCSF

ZINC32228542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.58 3.82 -47.31 2 5 1 62 313.443 6
Mid Mid (pH 6-8) 1.58 1.49 -11.79 1 5 0 61 312.435 6

Activity (Go SEA)

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