UCSF

ZINC02765583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 24 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) 5.23 9.08 -12.23 1 6 0 91 359.794 3
Hi High (pH 8-9.5) 5.69 6.59 -44.63 0 6 -1 94 358.786 3
Hi High (pH 8-9.5) 5.69 7.04 -42.93 0 6 -1 94 358.786 3

Activity (Go SEA)

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