UCSF

ZINC30905706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 19 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) 1.80 3.39 -43.35 3 4 1 49 282.433 5
Hi High (pH 8-9.5) 1.80 2.18 -9.66 2 4 0 44 281.425 5
Mid Mid (pH 6-8) 1.80 4.4 -41.53 3 4 1 46 282.433 5

Activity (Go SEA)

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