UCSF

ZINC33771525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.57 10.49 -64.16 1 7 0 87 435.524 11
Hi High (pH 8-9.5) 2.57 8.18 -51.14 0 7 -1 86 434.516 11
Lo Low (pH 4.5-6) 2.57 9.19 -54.89 2 7 1 84 436.532 11

Activity (Go SEA)

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