UCSF

ZINC36132853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) -0.43 4.98 -53.65 1 6 -1 90 267.305 4
Lo Low (pH 4.5-6) -0.43 3.28 -11.43 2 6 0 87 268.313 4

Activity (Go SEA)

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