UCSF

ZINC32022817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -1.75 -2.67 -51.11 3 6 1 64 257.358 4
Hi High (pH 8-9.5) -1.75 -3.93 -11.62 2 6 0 59 256.35 4
Mid Mid (pH 6-8) -1.75 -0.33 -102.16 4 6 2 65 258.366 4
Mid Mid (pH 6-8) -1.75 -0.32 -87.61 4 6 2 65 258.366 4
Mid Mid (pH 6-8) -1.75 -1.64 -35.86 3 6 1 60 257.358 4

Activity (Go SEA)

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