UCSF

ZINC02658026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 33 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) 3.64 -5.42 -17.19 2 9 0 123 483.575 8
Hi High (pH 8-9.5) 3.64 -4.87 -45.26 1 9 -1 125 482.567 8

Activity (Go SEA)

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