UCSF

ZINC70515408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) -0.26 2.65 -42.8 3 6 1 71 306.312 6
Hi High (pH 8-9.5) -0.26 1.13 -8.88 2 6 0 66 305.304 6

Activity (Go SEA)

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