UCSF

ZINC00036429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 No

Download: MOL2 SDF SMILES Flexibase

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) 2.99 8.74 -18 0 4 0 53 284.311 6
Hi High (pH 8-9.5) 4.18 7.03 -57.53 0 4 -1 59 283.303 5

Vendor Notes

Note Type Comments Provided By
MP 116 TCI

Activity (Go SEA)

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