UCSF

ZINC27533398

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 26 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) 2.00 6.39 -24.01 2 6 0 88 384.438 4
Hi High (pH 8-9.5) 2.06 5.76 -58.29 1 6 -1 95 383.43 4

Activity (Go SEA)

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