UCSF

ZINC32215390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.57 9.1 -33.85 2 3 1 26 311.449 7
Lo Low (pH 4.5-6) 3.57 10.34 -134.72 3 3 2 30 312.457 7

Activity (Go SEA)

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