UCSF

ZINC32228593

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) 3.94 10.14 -34.39 2 3 1 26 313.465 8
Mid Mid (pH 6-8) 3.94 7.42 -3.7 1 3 0 24 312.457 8
Mid Mid (pH 6-8) 3.94 9.23 -36.29 2 3 1 29 313.465 8
Lo Low (pH 4.5-6) 3.94 11.39 -117 3 3 2 30 314.473 8

Activity (Go SEA)

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