UCSF

ZINC60050985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 17 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) -0.15 0.01 -47.49 5 5 1 86 242.343 0
Hi High (pH 8-9.5) -0.15 -0.31 -10.15 4 5 0 84 241.335 0

Activity (Go SEA)

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