UCSF

ZINC33816990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.44 5.65 -41.06 2 7 0 112 273.248 4
Hi High (pH 8-9.5) 1.44 5.18 -48.73 1 7 -1 111 272.24 4
Mid Mid (pH 6-8) 1.44 4.18 -12.62 2 7 0 108 273.248 4

Activity (Go SEA)

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