UCSF

ZINC39703740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 31 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) 4.07 14.09 -10.13 2 9 0 94 422.489 8
Lo Low (pH 4.5-6) 4.07 14.61 -33.21 3 9 1 95 423.497 8
Lo Low (pH 4.5-6) 4.07 14.42 -34.62 3 9 1 95 423.497 8

Activity (Go SEA)

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