UCSF

ZINC32205077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 No

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) 1.59 4.75 -55.31 2 6 -1 98 305.335 4
Lo Low (pH 4.5-6) 1.59 5.14 -62.44 3 6 0 99 306.343 4

Activity (Go SEA)

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