UCSF

ZINC36776740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 0.56 3.52 -58.84 3 5 1 78 306.411 6
Hi High (pH 8-9.5) 0.56 3.15 -13.33 2 5 0 76 305.403 6
Lo Low (pH 4.5-6) 0.56 3.98 -94.81 4 5 2 79 307.419 6

Activity (Go SEA)

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