UCSF

ZINC19582768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 28 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) 1.15 7.4 -78.67 1 7 0 87 381.432 7
Hi High (pH 8-9.5) 1.15 4.87 -58.97 0 7 -1 86 380.424 7
Lo Low (pH 4.5-6) 1.15 6.57 -59.72 2 7 1 84 382.44 7

Activity (Go SEA)

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