UCSF

ZINC36102522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

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) 4.40 10.39 -50.64 2 4 1 43 396.482 10
Hi High (pH 8-9.5) 4.40 8.23 -9.42 1 4 0 42 395.474 10

Activity (Go SEA)

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