UCSF

ZINC32228401

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) 4.13 8.12 -4.12 1 2 0 15 312.432 6
Mid Mid (pH 6-8) 4.13 12.06 -29.31 2 2 1 16 313.44 6
Lo Low (pH 4.5-6) 4.13 9.86 -39.75 2 2 1 20 313.44 6

Activity (Go SEA)

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