UCSF

ZINC39762338

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 4.14 6.37 -21.28 2 7 0 97 414.465 5
Hi High (pH 8-9.5) 4.21 4.24 -60.26 1 7 -1 103 413.457 5

Activity (Go SEA)

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