UCSF

ZINC34462497

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 20 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) -0.24 -1.92 -59.09 3 8 1 100 283.308 3
Mid Mid (pH 6-8) -0.24 -2.93 -17.36 2 8 0 99 282.3 3
Mid Mid (pH 6-8) -0.24 -0.42 -64.61 3 8 1 100 283.308 3

Activity (Go SEA)

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