UCSF

ZINC37040080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.07 -0.2 -55.46 5 6 1 103 236.251 3
Hi High (pH 8-9.5) 0.53 -3.14 -48.42 3 6 -1 104 234.235 3
Mid Mid (pH 6-8) 0.53 -2.81 -80.05 4 6 0 106 235.243 3

Activity (Go SEA)

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