UCSF

ZINC35723503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 31 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) 2.77 7.84 -29.65 1 8 0 94 438.509 6
Hi High (pH 8-9.5) 2.96 5.85 -66.62 0 8 -1 100 437.501 6

Activity (Go SEA)

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