UCSF

ZINC35350215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 27 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) 3.65 6.74 -16.67 2 7 0 93 390.509 8
Hi High (pH 8-9.5) 3.84 5.28 -46.9 1 7 -1 100 389.501 8

Activity (Go SEA)

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