UCSF

ZINC36533684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 10 Yes

Other Names:

MFCD11501032

SS-6904

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) 2.58 2.33 -3.02 1 1 0 20 164.538 0
Mid Mid (pH 6-8) 2.58 3.09 -34.97 0 1 -1 23 163.53 0

Activity (Go SEA)

Rings

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