UCSF

ZINC59602877

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 3.02 5.78 -169.17 7 4 3 62 327.581 8
Hi High (pH 8-9.5) 3.02 4.98 -96.43 6 4 2 57 326.573 8
Hi High (pH 8-9.5) 3.02 4.61 -78.3 6 4 2 57 326.573 8
Lo Low (pH 4.5-6) 3.02 7.13 -318.35 8 4 4 66 328.589 8

Activity (Go SEA)

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