UCSF

ZINC08756637

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 25 No

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) 4.70 7.07 -17.02 2 6 0 84 422.666 3
Hi High (pH 8-9.5) 4.70 8.08 -58.61 1 6 -1 87 421.658 3

Activity (Go SEA)

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