UCSF

ZINC02527113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Other Names:

MFCD04114897

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) 0.40 3.26 -46.51 2 4 1 52 188.247 5
Hi High (pH 8-9.5) 0.40 1.94 -6.72 1 4 0 48 187.239 5

Activity (Go SEA)

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