UCSF

ZINC70513618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.82 -0.51 -46.82 3 5 1 74 305.464 8
Hi High (pH 8-9.5) 0.82 0.72 -10.54 2 5 0 70 304.456 8
Lo Low (pH 4.5-6) 0.82 3 -127.69 4 5 2 75 306.472 8

Activity (Go SEA)

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