UCSF

ZINC36639418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.75 5.18 -25.98 3 7 0 111 403.485 7
Hi High (pH 8-9.5) 2.93 2.79 -51.03 2 7 -1 118 402.477 7

Activity (Go SEA)

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