UCSF

ZINC31975703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.29 5.06 -58.19 3 5 1 63 268.296 2
Hi High (pH 8-9.5) 2.29 4.75 -12.67 2 5 0 62 267.288 2
Mid Mid (pH 6-8) 2.29 5.47 -108.56 4 5 2 65 269.304 2

Activity (Go SEA)

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