UCSF

ZINC33815252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 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) 0.53 9.88 -106.24 2 7 0 91 407.417 5
Hi High (pH 8-9.5) 0.53 8.64 -66.96 1 7 -1 87 406.409 5
Mid Mid (pH 6-8) 0.53 7.86 -59.67 3 7 1 88 408.425 5
Lo Low (pH 4.5-6) -2.22 8.59 -82.86 3 7 1 94 408.425 4

Activity (Go SEA)

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