UCSF

ZINC36237459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 4.30 12.63 -85.47 3 4 2 38 362.521 3
Hi High (pH 8-9.5) 4.30 10.87 -10.16 1 4 0 33 360.505 3
Mid Mid (pH 6-8) 4.30 12.17 -54.91 2 4 1 37 361.513 3

Activity (Go SEA)

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