UCSF

ZINC27571947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 24 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) 4.33 6.07 -22.43 2 6 0 84 408.639 2
Hi High (pH 8-9.5) 4.33 7.09 -59.88 1 6 -1 87 407.631 2

Activity (Go SEA)

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