UCSF

ZINC42742046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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
Hi High (pH 8-9.5) 1.90 4.83 -33.11 3 3 1 34 254.442 4
Hi High (pH 8-9.5) 1.90 2.26 -43.01 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.90 6.12 -91.52 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.90 4.7 -108.04 4 3 2 35 255.45 4
Lo Low (pH 4.5-6) 1.90 6.28 -215.41 5 3 3 37 256.458 4

Activity (Go SEA)

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