UCSF

ZINC34336055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 35 No

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) 3.27 13.75 -32.38 1 7 0 93 510.999 10
Hi High (pH 8-9.5) 3.29 12.75 -62.26 1 7 -1 99 509.991 10

Activity (Go SEA)

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