UCSF

ZINC05075828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 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) 2.57 -7.73 -20.29 1 7 0 92 410.517 7
Hi High (pH 8-9.5) 2.57 -7.17 -53.87 0 7 -1 94 409.509 7

Activity (Go SEA)

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