UCSF

ZINC34473080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 34 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) 0.60 4.28 -23.64 2 12 0 149 511.582 10
Hi High (pH 8-9.5) 0.79 2.53 -58.74 1 12 -1 155 510.574 10

Activity (Go SEA)

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