UCSF

ZINC33121162

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 3.20 7.2 -51.26 4 7 1 95 459.636 8
Hi High (pH 8-9.5) 3.20 7.27 -66.88 3 7 0 97 458.628 8
Hi High (pH 8-9.5) 3.20 5.79 -14.25 3 7 0 91 458.628 8

Activity (Go SEA)

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