UCSF

ZINC35311498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 0.66 4.04 -49.47 3 5 1 58 292.403 6
Hi High (pH 8-9.5) 0.66 2.35 -9.34 2 5 0 54 291.395 6
Lo Low (pH 4.5-6) 0.66 6.29 -127.7 4 5 2 59 293.411 6
Lo Low (pH 4.5-6) 0.66 4.61 -42.53 3 5 1 55 292.403 6

Activity (Go SEA)

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