UCSF

ZINC45703059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.05 6.82 -67.69 1 6 0 82 314.407 8
Hi High (pH 8-9.5) 2.05 4.35 -53.14 0 6 -1 81 313.399 8

Activity (Go SEA)

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