UCSF

ZINC04072120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 28 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) 2.11 9.16 -23.8 1 7 0 92 392.44 4
Ref Reference (pH 7) 3.95 4.98 -19.35 3 7 0 100 392.44 4
Hi High (pH 8-9.5) 2.18 7.5 -61.16 0 7 -1 99 391.432 4
Hi High (pH 8-9.5) 3.95 5.75 -54.13 2 7 -1 103 391.432 4

Activity (Go SEA)

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