UCSF

ZINC31933324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.31 10.84 -62.94 1 5 0 62 315.417 4
Hi High (pH 8-9.5) 3.31 9.5 -53.91 0 5 -1 61 314.409 4
Mid Mid (pH 6-8) 3.31 11.23 -98.86 2 5 1 63 316.425 4

Activity (Go SEA)

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