UCSF

ZINC34959833

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 0.26 6.13 -10.63 0 4 0 53 252.321 6
Mid Mid (pH 6-8) 0.26 6.15 -38.03 1 4 1 54 253.329 6
Lo Low (pH 4.5-6) 0.26 6.2 -96.31 2 4 2 55 254.337 6

Activity (Go SEA)

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