UCSF

ZINC36125429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 3.54 7.07 -12.5 0 5 0 50 392.496 6
Mid Mid (pH 6-8) 3.54 9.28 -54.43 1 5 1 51 393.504 6

Activity (Go SEA)

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