UCSF

ZINC15016033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 No

Other Names:

MFCD02077827

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) 4.32 6.98 -42.07 0 4 -1 53 327.36 4
Ref Reference (pH 7) 4.81 7.17 -7.84 1 4 0 54 328.368 3

Activity (Go SEA)

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