UCSF

ZINC70304412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 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) 0.62 3.55 -88.43 3 5 2 55 254.359 5
Hi High (pH 8-9.5) 0.62 4.53 -42.89 2 5 1 51 253.351 5
Hi High (pH 8-9.5) 0.62 3.61 -47.1 2 5 1 54 253.351 5
Lo Low (pH 4.5-6) 0.62 5.84 -202.17 4 5 3 57 255.367 5

Activity (Go SEA)

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