UCSF

ZINC31965507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.67 6.99 -59.73 1 6 -1 87 288.327 6
Lo Low (pH 4.5-6) 0.67 7.4 -62.4 2 6 0 88 289.335 6

Activity (Go SEA)

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