UCSF

ZINC29453369

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 29 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) 1.47 9.4 -58.75 2 8 1 89 420.559 6
Hi High (pH 8-9.5) 1.47 7.18 -23.44 1 8 0 88 419.551 6

Activity (Go SEA)

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