UCSF

ZINC31772036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 21 Yes

Other Names:

MFCD13741190

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) 2.76 9.11 -55.63 0 5 -1 61 280.307 3
Lo Low (pH 4.5-6) 2.76 9.54 -61.24 1 5 0 62 281.315 3

Activity (Go SEA)

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