UCSF

ZINC49089411

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 31 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) -3.48 -2.87 -370.97 4 17 -4 281 501.178 8
Mid Mid (pH 6-8) -3.48 -4.02 -232.64 5 17 -3 278 502.186 8

Activity (Go SEA)

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