UCSF

ZINC71257436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2011 35 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) 2.64 12.97 -55.48 3 9 0 120 465.517 8
Hi High (pH 8-9.5) 2.64 10.29 -61.15 2 9 -1 119 464.509 8

Activity (Go SEA)

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