UCSF

ZINC36787846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 30 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) 4.04 10.9 -15.71 1 6 0 77 440.525 6
Hi High (pH 8-9.5) 4.23 9.48 -39.95 0 6 -1 83 439.517 6

Activity (Go SEA)

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