UCSF

ZINC20599716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 23 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) 2.73 9.43 -40.66 1 3 1 21 310.465 6
Hi High (pH 8-9.5) 2.73 7.18 -4.71 0 3 0 19 309.457 6
Mid Mid (pH 6-8) 2.73 11.89 -119.31 2 3 2 22 311.473 6
Lo Low (pH 4.5-6) 2.73 9.43 -43.51 1 3 1 21 310.465 6
Lo Low (pH 4.5-6) 2.73 9.87 -87.6 2 3 2 22 311.473 6

Activity (Go SEA)

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