UCSF

ZINC32101919

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 Yes

Other Names:

MFCD11920571

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) 1.96 5.79 -108.59 4 2 2 32 246.757 5
Mid Mid (pH 6-8) 1.96 3.6 -44.03 3 2 1 31 245.749 5

Activity (Go SEA)

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