UCSF

ZINC08837982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 1.95 7.96 -70.17 2 9 0 116 455.511 9
Hi High (pH 8-9.5) 1.95 5.47 -58.13 1 9 -1 115 454.503 9
Mid Mid (pH 6-8) 2.40 8.98 -52.43 3 9 1 113 456.519 8

Activity (Go SEA)

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