UCSF

ZINC42168164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 1.01 2.46 -78.13 4 5 2 53 256.394 5
Mid Mid (pH 6-8) 1.01 2.34 -86.9 4 5 2 53 256.394 5
Mid Mid (pH 6-8) 1.01 0.08 -34.89 3 5 1 52 255.386 5

Activity (Go SEA)

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