UCSF

ZINC01095862

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 Yes

Other Names:

MFCD00348221

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) 4.43 -3.26 -19.57 2 6 0 84 410.495 6
Hi High (pH 8-9.5) 4.43 -2.71 -52.29 1 6 -1 86 409.487 6

Activity (Go SEA)

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