UCSF

ZINC21739691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 2.67 7.33 -12.49 1 9 0 116 408.509 7
Hi High (pH 8-9.5) 3.13 6.51 -36.05 0 9 -1 119 407.501 7

Activity (Go SEA)

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