UCSF

ZINC37798055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 Yes

Other Names:

MFCD13212504

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) 1.81 5.28 -39.66 3 3 1 48 300.22 4
Hi High (pH 8-9.5) 1.81 5 -4.93 2 3 0 46 299.212 4

Activity (Go SEA)

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