UCSF

ZINC32110777

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 17 Yes

Other Names:

MFCD11924301

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) 1.29 4.53 -44.37 3 3 1 48 259.732 4
Mid Mid (pH 6-8) 1.29 4.13 -7.3 2 3 0 46 258.724 4

Activity (Go SEA)

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