UCSF

ZINC09125507

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 29 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) 3.64 -6.7 -14.42 2 7 0 101 436.486 7
Hi High (pH 8-9.5) 3.64 -6.16 -41.16 1 7 -1 103 435.478 7
Hi High (pH 8-9.5) 3.64 -6.16 -39.93 1 7 -1 103 435.478 7
Hi High (pH 8-9.5) 3.64 -5.61 -106.37 0 7 -2 105 434.47 7

Activity (Go SEA)

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