UCSF

ZINC45663057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.26 4.66 -39.95 4 5 1 63 293.435 8
Mid Mid (pH 6-8) 2.26 5.13 -36.76 4 5 1 63 293.435 8
Lo Low (pH 4.5-6) 2.26 7.13 -119.33 5 5 2 64 294.443 8

Activity (Go SEA)

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