UCSF

ZINC05408666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 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) 2.69 5.65 -59.26 1 6 -1 88 366.393 6
Mid Mid (pH 6-8) 3.14 -0.86 -19.19 2 6 0 84 367.401 5
Mid Mid (pH 6-8) 2.11 -1.54 -12.99 1 6 0 81 367.401 6

Activity (Go SEA)

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