UCSF

ZINC32215400

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) 3.51 7.82 -40.78 3 3 1 37 311.449 6
Lo Low (pH 4.5-6) 3.51 9.11 -128.7 4 3 2 41 312.457 6

Activity (Go SEA)

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