UCSF

ZINC32590215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 22 Yes

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) 2.37 3.57 -38.92 3 4 1 48 315.522 10
Mid Mid (pH 6-8) 2.37 3.67 -33.67 3 4 1 48 315.522 10
Mid Mid (pH 6-8) 2.37 6.01 -99.21 4 4 2 49 316.53 10

Activity (Go SEA)

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