UCSF

ZINC20191112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 4.13 11.31 -63.16 1 5 0 65 475.358 8
Hi High (pH 8-9.5) 4.13 9.02 -52.8 0 5 -1 64 474.35 8
Lo Low (pH 4.5-6) 4.13 10.5 -48.8 2 5 1 62 476.366 8

Activity (Go SEA)

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