UCSF

ZINC20219723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 No

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) 2.70 9.3 -63.52 2 9 0 116 483.565 11
Hi High (pH 8-9.5) 2.70 7.13 -57.11 1 9 -1 115 482.557 11
Mid Mid (pH 6-8) 0.93 7.74 -15.82 1 6 0 67 288.351 3
Lo Low (pH 4.5-6) 2.80 9.21 -55.83 2 9 1 110 484.573 11

Activity (Go SEA)

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