UCSF

ZINC36239614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

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) 4.27 9.9 -46.43 2 4 1 37 390.338 3
Hi High (pH 8-9.5) 4.27 9.94 -7.7 1 4 0 33 389.33 3
Lo Low (pH 4.5-6) 4.27 10.13 -80.25 3 4 2 38 391.346 3

Activity (Go SEA)

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