UCSF

ZINC20082374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 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) 3.62 8.61 -61.02 0 6 -1 73 433.528 7
Mid Mid (pH 6-8) 3.62 10.96 -69.7 1 6 0 74 434.536 7
Lo Low (pH 4.5-6) 3.62 10.14 -49.85 2 6 1 71 435.544 7

Activity (Go SEA)

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