UCSF

ZINC00703899

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Other Names:

MFCD04448265

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) 3.80 0.71 -15.62 1 7 0 92 428.444 4
Lo Low (pH 4.5-6) 3.80 0.87 -33.2 2 7 1 94 429.452 4

Activity (Go SEA)

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