UCSF

ZINC12843737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 27 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) 3.01 9.36 -10.19 1 6 0 72 383.473 6
Ref Reference (pH 7) 3.01 9.38 -10.31 1 6 0 72 383.473 6
Hi High (pH 8-9.5) 3.55 8.29 -43.47 0 6 -1 74 382.465 7

Activity (Go SEA)

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