UCSF

ZINC01026498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 31 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) 4.51 -2.63 -15.74 3 7 0 95 435.505 6
Lo Low (pH 4.5-6) 4.51 -2.52 -36.64 4 7 1 96 436.513 6

Activity (Go SEA)

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