UCSF

ZINC33756940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 5.06 13.47 -51.15 1 7 0 83 494.632 14
Hi High (pH 8-9.5) 5.06 11.18 -43.1 0 7 -1 82 493.624 14
Lo Low (pH 4.5-6) 5.06 12.35 -49.93 2 7 1 81 495.64 14

Activity (Go SEA)

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