UCSF

ZINC19900996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.81 5.72 -109.63 4 3 2 41 252.402 7
Hi High (pH 8-9.5) 2.81 4.32 -32.37 2 3 0 43 250.386 7
Mid Mid (pH 6-8) 2.81 4.12 -32.71 3 3 1 37 251.394 7

Activity (Go SEA)

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