UCSF

ZINC13691270

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 2.21 5.95 -11.16 0 6 0 69 360.369 3
Lo Low (pH 4.5-6) 2.21 9.17 -105.02 2 6 2 71 362.385 3
Lo Low (pH 4.5-6) 2.21 6.43 -44.94 1 6 1 70 361.377 3

Activity (Go SEA)

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