UCSF

ZINC06645988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 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) 4.12 6.38 -11.31 3 6 0 91 361.401 4
Hi High (pH 8-9.5) 4.12 7.16 -53.84 2 6 -1 94 360.393 4
Lo Low (pH 4.5-6) 4.12 6.72 -34.53 4 6 1 92 362.409 4

Activity (Go SEA)

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