UCSF

ZINC33785395

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 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) 4.74 10.16 -28.15 2 7 0 93 438.553 8
Hi High (pH 8-9.5) 4.92 9.11 -56.72 1 7 -1 100 437.545 8

Activity (Go SEA)

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