UCSF

ZINC35562965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 24 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) 4.92 10.95 -14.42 1 4 0 55 361.536 7
Hi High (pH 8-9.5) 5.11 9.47 -45.12 0 4 -1 61 360.528 7

Activity (Go SEA)

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