UCSF

ZINC05444758

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 26 Yes

Other Names:

MFCD04066780

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 7.2 -15.81 1 5 0 69 366.291 5
Hi High (pH 8-9.5) 4.32 7.99 -39.93 0 5 -1 72 365.283 5

Activity (Go SEA)

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