UCSF

ZINC39765525

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 36 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) 2.97 10.72 -27.81 2 10 0 124 523.644 10
Hi High (pH 8-9.5) 3.15 9.19 -59.99 1 10 -1 130 522.636 10

Activity (Go SEA)

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