UCSF

ZINC44822729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 4.03 8.7 -13.75 1 4 0 66 319.817 5
Hi High (pH 8-9.5) 4.22 7.26 -43.26 0 4 -1 72 318.809 5

Activity (Go SEA)

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