UCSF

ZINC43248720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.18 5.15 -29.93 3 4 1 49 315.503 11
Hi High (pH 8-9.5) 2.18 3.97 -5.4 2 4 0 48 314.495 11
Mid Mid (pH 6-8) 2.18 4.04 -33.47 3 4 1 49 315.503 11
Mid Mid (pH 6-8) 2.18 5.48 -108.13 4 4 2 51 316.511 11

Activity (Go SEA)

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