UCSF

ZINC20524018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.03 8.81 -82.47 3 3 2 21 255.45 5
Hi High (pH 8-9.5) 2.03 6.77 -27.17 2 3 1 20 254.442 5
Mid Mid (pH 6-8) 2.03 6.62 -107.55 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 2.03 6.58 -95.79 3 3 2 24 255.45 5
Lo Low (pH 4.5-6) 2.03 9.01 -195.13 4 3 3 25 256.458 5

Activity (Go SEA)

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