UCSF

ZINC70513644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 No

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) 0.67 -0.04 -53.74 3 5 1 74 313.443 6
Hi High (pH 8-9.5) 0.67 -1.67 -12.28 2 5 0 70 312.435 6
Lo Low (pH 4.5-6) 0.67 0.98 -50.74 3 5 1 71 313.443 6

Activity (Go SEA)

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