UCSF

ZINC44699470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 4.86 8.02 -42.97 4 4 1 66 390.503 8
Hi High (pH 8-9.5) 4.86 6.59 -7.13 3 4 0 62 389.495 8

Activity (Go SEA)

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