UCSF

ZINC09055464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 32 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) 2.71 10.16 -22.4 3 6 0 99 428.467 1
Hi High (pH 8-9.5) 2.90 8.24 -76.57 2 6 -1 106 427.459 1

Activity (Go SEA)

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