UCSF

ZINC08979014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 25 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) 1.45 -7.14 -13.95 2 8 0 106 385.467 8
Hi High (pH 8-9.5) 1.45 -6.59 -40.3 1 8 -1 108 384.459 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.