UCSF

ZINC33924986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 35 No

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) 1.83 11.59 -53.05 3 8 0 115 471.513 8
Hi High (pH 8-9.5) 1.83 10.28 -56.12 2 8 -1 111 470.505 8

Activity (Go SEA)

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