UCSF

ZINC20218454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.06 0.93 -47.28 2 6 1 60 291.441 4
Hi High (pH 8-9.5) 0.06 -0.26 -7.64 1 6 0 56 290.433 4
Mid Mid (pH 6-8) 0.06 3.14 -102.15 3 6 2 62 292.449 4

Activity (Go SEA)

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