UCSF

ZINC20523807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 2.27 9.04 -77.49 3 3 2 21 269.477 6
Hi High (pH 8-9.5) 2.27 7.05 -28.42 2 3 1 20 268.469 6
Mid Mid (pH 6-8) 2.27 4.84 -34.17 2 3 1 23 268.469 6
Mid Mid (pH 6-8) 2.27 6.6 -108.76 3 3 2 24 269.477 6
Lo Low (pH 4.5-6) 2.27 9.3 -188.15 4 3 3 25 270.485 6

Activity (Go SEA)

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