UCSF

ZINC35836474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 3.84 14.14 -29.93 1 7 1 63 438.596 5
Hi High (pH 8-9.5) 3.84 13.9 -9.95 0 7 0 62 437.588 5

Activity (Go SEA)

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