UCSF

ZINC33776695

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 3.12 11.13 -66.58 1 7 0 87 437.54 11
Hi High (pH 8-9.5) 3.12 8.61 -50.86 0 7 -1 86 436.532 11
Lo Low (pH 4.5-6) 3.12 9.84 -56.37 2 7 1 84 438.548 11

Activity (Go SEA)

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