UCSF

ZINC34463140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 Yes

Other Names:

MFCD18800941

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) 2.08 5.45 -36.1 1 3 1 23 196.27 5
Hi High (pH 8-9.5) 2.08 2.99 -4.84 0 3 0 22 195.262 5

Activity (Go SEA)

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