UCSF

ZINC34059866

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 29 Yes

CAS Number: 209860-88-8

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) 3.57 7.59 -56.62 2 5 -1 90 409.449 11
Lo Low (pH 4.5-6) 3.57 6.47 -14.82 3 5 0 87 410.457 11

Activity (Go SEA)

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