UCSF

ZINC02279400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 29 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) 5.49 12.87 -22.7 2 4 0 37 390.551 5
Hi High (pH 8-9.5) 5.49 12.77 -8.81 1 4 0 36 389.543 5
Mid Mid (pH 6-8) 5.68 9.92 -6.35 1 4 0 39 389.543 5

Activity (Go SEA)

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