UCSF

ZINC16097090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 30 No

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) 3.80 5.43 -20.55 2 9 0 138 447.494 7
Hi High (pH 8-9.5) 3.80 5.53 -43.68 1 9 -1 140 446.486 7
Hi High (pH 8-9.5) 3.80 5.51 -56.11 1 9 -1 140 446.486 7
Hi High (pH 8-9.5) 3.80 5.61 -100.64 0 9 -2 142 445.478 7

Activity (Go SEA)

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