UCSF

ZINC08743432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 5.44 12.71 -142.54 0 6 -2 107 438.435 4
Mid Mid (pH 6-8) 5.44 12.12 -61.9 1 6 -1 104 439.443 4
Mid Mid (pH 6-8) 5.44 10.58 -27.35 2 6 0 101 440.451 4

Activity (Go SEA)

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