UCSF

ZINC34987569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 5.18 11.04 -11.7 2 4 0 65 368.465 2
Lo Low (pH 4.5-6) 5.18 11.35 -33.2 3 4 1 66 369.473 2

Activity (Go SEA)

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