UCSF

ZINC00700024

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 0.59 4.76 -16 0 11 0 101 510.595 9
Mid Mid (pH 6-8) 0.59 7.11 -49.01 1 11 1 102 511.603 9
Mid Mid (pH 6-8) 0.59 7.05 -63.31 1 11 1 102 511.603 9
Lo Low (pH 4.5-6) 0.59 9.39 -108 2 11 2 103 512.611 9

Activity (Go SEA)

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