UCSF

ZINC44220457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) 1.72 1.15 -51.64 2 4 -1 81 193.178 2
Mid Mid (pH 6-8) 1.72 -0.85 -8.95 3 4 0 78 194.186 2

Activity (Go SEA)

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